1-(4,4-dimethylcyclopenten-1-yl)ethanol

C9H16O — CID 19809727

IUPAC1-(4,4-dimethylcyclopenten-1-yl)ethanol
SMILESCC(O)C1=CCC(C)(C)C1
InChIInChI=1S/C9H16O/c1-7(10)8-4-5-9(2,3)6-8/h4,7,10H,5-6H2,1-3H3
InChIKeyACWJVZOHQKVCLX-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds1

About 1-(4,4-dimethylcyclopenten-1-yl)ethanol

1-(4,4-dimethylcyclopenten-1-yl)ethanol (PubChem CID 19809727) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclopenten-1-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-dimethylcyclopenten-1-yl)ethanol
PubChem CID19809727
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(4,4-dimethylcyclopenten-1-yl)ethanol
SMILESCC(O)C1=CCC(C)(C)C1
InChIInChI=1S/C9H16O/c1-7(10)8-4-5-9(2,3)6-8/h4,7,10H,5-6H2,1-3H3
InChIKeyACWJVZOHQKVCLX-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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-(4,4-dimethylcyclopenten-1-yl)ethanol?
The IUPAC name of 1-(4,4-dimethylcyclopenten-1-yl)ethanol (CID 19809727) is 1-(4,4-dimethylcyclopenten-1-yl)ethanol.
What is the SMILES notation for 1-(4,4-dimethylcyclopenten-1-yl)ethanol?
The canonical SMILES for 1-(4,4-dimethylcyclopenten-1-yl)ethanol is CC(O)C1=CCC(C)(C)C1.
What is the InChIKey of 1-(4,4-dimethylcyclopenten-1-yl)ethanol?
The InChIKey is ACWJVZOHQKVCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(10)8-4-5-9(2,3)6-8/h4,7,10H,5-6H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclopenten-1-yl)ethanol?
1-(4,4-dimethylcyclopenten-1-yl)ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclopenten-1-yl)ethanol is sourced from PubChem (CID 19809727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).