trans-1,3-Dimethyl-2-methylenecyclohexane
TL;DR: trans-1,3-Dimethyl-2-methylenecyclohexane (CAS 95177-47-2) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-methylidenecyclohexane
Also Known As: 1,3-dimethyl-2-methylidenecyclohexane, cis-1,3-Dimethyl-2-methylenecyclohexane, 1,3-Dimethyl-2-methylenecyclohexane, 2,6-dimethyl-methylenecyclohexane, trans-1,3-Dimethyl-2-methylenecyclohexane
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 95177-47-2 |
|---|---|
| SMILES | CC1CCCC(C1=C)C |
| InChIKey | UTQSTOKTRPNZHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-1,3-Dimethyl-2-methylenecyclohexane (CAS 95177-47-2), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 1,3-dimethyl-2-methylidenecyclohexane.
Chemical Property Profile of trans-1,3-Dimethyl-2-methylenecyclohexane
Property Insights of trans-1,3-Dimethyl-2-methylenecyclohexane
The XLogP value of 3.3 indicates that trans-1,3-Dimethyl-2-methylenecyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, trans-1,3-Dimethyl-2-methylenecyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,3-Dimethyl-2-methylenecyclohexane 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 trans-1,3-Dimethyl-2-methylenecyclohexane?
The CAS number of trans-1,3-Dimethyl-2-methylenecyclohexane is 95177-47-2.
What is the molecular formula of trans-1,3-Dimethyl-2-methylenecyclohexane?
The molecular formula of trans-1,3-Dimethyl-2-methylenecyclohexane is C9H16.
What is the molecular weight of trans-1,3-Dimethyl-2-methylenecyclohexane?
The molecular weight of trans-1,3-Dimethyl-2-methylenecyclohexane is 124.13 g/mol.
Where can I buy trans-1,3-Dimethyl-2-methylenecyclohexane?
You can request a quote for trans-1,3-Dimethyl-2-methylenecyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,3-Dimethyl-2-methylenecyclohexane?
Yes, KEHONG BIO provides custom synthesis services for trans-1,3-Dimethyl-2-methylenecyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.