2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol

C11H20O — CID 20547238

IUPAC2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)(C)C(CCO)CC1
InChIInChI=1S/C11H20O/c1-9-4-5-10(6-7-12)11(2,3)8-9/h8,10,12H,4-7H2,1-3H3
InChIKeyPVBZQVBRLNKMFW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds2

About 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol

2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 20547238) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
PubChem CID20547238
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)(C)C(CCO)CC1
InChIInChI=1S/C11H20O/c1-9-4-5-10(6-7-12)11(2,3)8-9/h8,10,12H,4-7H2,1-3H3
InChIKeyPVBZQVBRLNKMFW-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol 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

methyl 2,2,4-trimethylcyclohex-3-ene-1-carboxylate
CID 16752843
2-[(4aR,8aS)-3,8,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]ethanol
CID 15341881
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
CID 117017428
2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol
CID 142088873
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
CID 6437289
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383
2-(2-ethyl-2-methylcyclopropyl)ethanol
CID 72514759
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017387
2,2,3,3-tetrafluoro-4a,6-dimethyl-8,8a-dihydro-7H-1,4-benzodioxine
CID 162604526
2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol
CID 23243128

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol (CID 20547238) is 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)(C)C(CCO)CC1.
What is the InChIKey of 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is PVBZQVBRLNKMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-4-5-10(6-7-12)11(2,3)8-9/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol?
2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 20547238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).