3-(1-ethoxyethenyl)cyclohex-2-en-1-ol

C10H16O2 — CID 12769018

IUPAC3-(1-ethoxyethenyl)cyclohex-2-en-1-ol
SMILESC=C(OCC)C1=CC(O)CCC1
InChIInChI=1S/C10H16O2/c1-3-12-8(2)9-5-4-6-10(11)7-9/h7,10-11H,2-6H2,1H3
InChIKeyYNFGAQFDINTEPX-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds3

About 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol

3-(1-ethoxyethenyl)cyclohex-2-en-1-ol (PubChem CID 12769018) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)cyclohex-2-en-1-ol
PubChem CID12769018
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(1-ethoxyethenyl)cyclohex-2-en-1-ol
SMILESC=C(OCC)C1=CC(O)CCC1
InChIInChI=1S/C10H16O2/c1-3-12-8(2)9-5-4-6-10(11)7-9/h7,10-11H,2-6H2,1H3
InChIKeyYNFGAQFDINTEPX-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol
CID 24950833
(3R)-5-(2,5-dihydrofuran-3-yl)-2-methylpent-1-en-3-ol
CID 162991143
1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
2-[(2R,5Z,6E)-6-ethylidene-5-(2-fluoroethylidene)oxan-2-yl]ethanol
CID 88052027
[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
CID 163515887
4-(11-Hydroxyundecoxy)-6-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 170049760
3-(4-Methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
CID 11045033
(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726220
(1S)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726221
(1R)-3-(2-methoxyethenyl)cyclohex-2-en-1-ol
CID 91034166
1-(3-Methylidenecyclohexen-1-yl)propan-1-ol
CID 102214093

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol (CID 12769018) is 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol is C=C(OCC)C1=CC(O)CCC1.
What is the InChIKey of 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol?
The InChIKey is YNFGAQFDINTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-8(2)9-5-4-6-10(11)7-9/h7,10-11H,2-6H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol?
3-(1-ethoxyethenyl)cyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 12769018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).