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'}

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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).