2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
TL;DR: 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate (CAS 40853-56-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylhex-2-enyl) acetate
Also Known As: Isodihydro lavandulyl acetate, (Z)-isodihydrolavandulyl acetate, 2-Isopropyl-5-methylhex-2-enyl acetate, (5-methyl-2-propan-2-ylhex-2-enyl) acetate, 2-Isopropyl-5-methyl-2-hexen-1-yl acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 40853-56-3 |
|---|---|
| SMILES | CC(C)CC=C(COC(=O)C)C(C)C |
| InChIKey | AOWLXZIJUIFJPM-UHFFFAOYSA-N |
Product Overview
2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate (CAS 40853-56-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: (5-methyl-2-propan-2-ylhex-2-enyl) acetate.
Chemical Property Profile of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
Property Insights of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
The XLogP value of 3.6 indicates that 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate 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 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate?
The CAS number of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate is 40853-56-3.
What is the molecular formula of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate?
The molecular formula of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate is C12H22O2.
What is the molecular weight of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate?
The molecular weight of 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate is 198.16 g/mol.
Where can I buy 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate?
You can request a quote for 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.