(E)-1,3-Hexadiene, 5,5-dimethyl-
TL;DR: (E)-1,3-Hexadiene, 5,5-dimethyl- (CAS 59697-92-6) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-5,5-dimethylhexa-1,3-diene
Also Known As: 5,5-Dimethyl-1,3-hexadiene, (3E)-5,5-dimethylhexa-1,3-diene, 5,5-dimethylhexa-1,3-diene, (E)-(CH3)3CCH=CHCH=CH2, (Z)-5,5-Dimethyl-1,3-hexadiene
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 2.7747 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 91.09616 |
Chemical Identifiers
| CAS Number | 59697-92-6 |
|---|---|
| SMILES | CC(C)(C)/C=C/C=C |
Product Overview
(E)-1,3-Hexadiene, 5,5-dimethyl- (CAS 59697-92-6), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: (3E)-5,5-dimethylhexa-1,3-diene.
Chemical Property Profile of (E)-1,3-Hexadiene, 5,5-dimethyl-
Property Insights of (E)-1,3-Hexadiene, 5,5-dimethyl-
The XLogP value of 2.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,3-Hexadiene, 5,5-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, (E)-1,3-Hexadiene, 5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,3-Hexadiene, 5,5-dimethyl- has 0 hydrogen bond donor(s) and 0 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 (E)-1,3-Hexadiene, 5,5-dimethyl-?
The CAS number of (E)-1,3-Hexadiene, 5,5-dimethyl- is 59697-92-6.
What is the molecular formula of (E)-1,3-Hexadiene, 5,5-dimethyl-?
The molecular formula of (E)-1,3-Hexadiene, 5,5-dimethyl- is C8H14.
What is the molecular weight of (E)-1,3-Hexadiene, 5,5-dimethyl-?
The molecular weight of (E)-1,3-Hexadiene, 5,5-dimethyl- is 110.11 g/mol.
Where can I buy (E)-1,3-Hexadiene, 5,5-dimethyl-?
You can request a quote for (E)-1,3-Hexadiene, 5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,3-Hexadiene, 5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,3-Hexadiene, 5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.