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

C10H18O — CID 118112369

IUPAC1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)C(C(C)O)CC1
InChIInChI=1S/C10H18O/c1-7-4-5-10(9(3)11)8(2)6-7/h6,8-11H,4-5H2,1-3H3
InChIKeyQIWOOWVXAQZIFZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

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

1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 118112369) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID118112369
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)C(C(C)O)CC1
InChIInChI=1S/C10H18O/c1-7-4-5-10(9(3)11)8(2)6-7/h6,8-11H,4-5H2,1-3H3
InChIKeyQIWOOWVXAQZIFZ-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol (CID 118112369) is 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)C(C(C)O)CC1.
What is the InChIKey of 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is QIWOOWVXAQZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-4-5-10(9(3)11)8(2)6-7/h6,8-11H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol?
1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 118112369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).