Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
TL;DR: Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- (CAS 30346-25-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(3,3-dimethylcyclohexylidene)acetate
Also Known As: Methyl trans-3,3-dimethylcyclohexylidene acetate, methyl 2-(3,3-dimethylcyclohexylidene)acetate, Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-, METHYL 2-[(1Z)-3,3-DIMETHYLCYCLOHEXYLIDENE]ACETATE, Methyl (2Z)-(3,3-dimethylcyclohexylidene)acetate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 226.24478 |
Chemical Identifiers
| CAS Number | 30346-25-9 |
|---|---|
| SMILES | CC1(CCC/C(=C/C(=O)OC)/C1)C |
Product Overview
Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- (CAS 30346-25-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl (2Z)-2-(3,3-dimethylcyclohexylidene)acetate.
Chemical Property Profile of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
Property Insights of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-?
The CAS number of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- is 30346-25-9.
What is the molecular formula of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-?
The molecular formula of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- is C11H18O2.
What is the molecular weight of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-?
The molecular weight of Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- is 182.13 g/mol.
Where can I buy Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-?
You can request a quote for Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.