(3,3-Dimethoxypropen-1-yl)benzene
TL;DR: (3,3-Dimethoxypropen-1-yl)benzene (CAS 4364-06-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxyprop-1-enylbenzene
Also Known As: dimethoxypropenylbenzene, 3,3-dimethoxyprop-1-enylbenzene, (3,3-Dimethoxypropen-1-yl)benzene, CINNAMALDEHYDE DIMETHYL ACETAL, (E)-Cinnamaldehyde dimethyl acetal
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4364-06-1 |
|---|---|
| SMILES | COC(C=CC1=CC=CC=C1)OC |
| InChIKey | MBAOABFNWSOOLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,3-Dimethoxypropen-1-yl)benzene (CAS 4364-06-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3,3-dimethoxyprop-1-enylbenzene.
Chemical Property Profile of (3,3-Dimethoxypropen-1-yl)benzene
Property Insights of (3,3-Dimethoxypropen-1-yl)benzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,3-Dimethoxypropen-1-yl)benzene. With a topological polar surface area (TPSA) of 18.5 Ų, (3,3-Dimethoxypropen-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Dimethoxypropen-1-yl)benzene 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 (3,3-Dimethoxypropen-1-yl)benzene?
The CAS number of (3,3-Dimethoxypropen-1-yl)benzene is 4364-06-1.
What is the molecular formula of (3,3-Dimethoxypropen-1-yl)benzene?
The molecular formula of (3,3-Dimethoxypropen-1-yl)benzene is C11H14O2.
What is the molecular weight of (3,3-Dimethoxypropen-1-yl)benzene?
The molecular weight of (3,3-Dimethoxypropen-1-yl)benzene is 178.10 g/mol.
Where can I buy (3,3-Dimethoxypropen-1-yl)benzene?
You can request a quote for (3,3-Dimethoxypropen-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3-Dimethoxypropen-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethoxypropen-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.