1-Hexanol, 2,2-dimethyl-, carbamate
TL;DR: 1-Hexanol, 2,2-dimethyl-, carbamate (CAS 3124-40-1) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylhexyl carbamate
Also Known As: 2,2-dimethylhexyl carbamate, 2,2-Dimethyl-1-hexanol carbamate, 2,2-Dimethylhexyl ester of carbamic acid, Carbamic acid, 2,2-dimethylhexyl ester, 1-HEXANOL, 2,2-DIMETHYL-, CARBAMATE
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3124-40-1 |
|---|---|
| SMILES | CCCCC(C)(C)COC(=O)N |
| InChIKey | SQJXXQLYUABPRW-UHFFFAOYSA-N |
Product Overview
1-Hexanol, 2,2-dimethyl-, carbamate (CAS 3124-40-1), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: 2,2-dimethylhexyl carbamate.
Chemical Property Profile of 1-Hexanol, 2,2-dimethyl-, carbamate
Property Insights of 1-Hexanol, 2,2-dimethyl-, carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanol, 2,2-dimethyl-, carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Hexanol, 2,2-dimethyl-, carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 2,2-dimethyl-, carbamate has 1 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 1-Hexanol, 2,2-dimethyl-, carbamate?
The CAS number of 1-Hexanol, 2,2-dimethyl-, carbamate is 3124-40-1.
What is the molecular formula of 1-Hexanol, 2,2-dimethyl-, carbamate?
The molecular formula of 1-Hexanol, 2,2-dimethyl-, carbamate is C9H19NO2.
What is the molecular weight of 1-Hexanol, 2,2-dimethyl-, carbamate?
The molecular weight of 1-Hexanol, 2,2-dimethyl-, carbamate is 173.14 g/mol.
Where can I buy 1-Hexanol, 2,2-dimethyl-, carbamate?
You can request a quote for 1-Hexanol, 2,2-dimethyl-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanol, 2,2-dimethyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 2,2-dimethyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.