1-(cyclohepten-1-yl)ethanol

C9H16O — CID 11829541

IUPAC1-(cyclohepten-1-yl)ethanol
SMILESCC(O)C1=CCCCCC1
InChIInChI=1S/C9H16O/c1-8(10)9-6-4-2-3-5-7-9/h6,8,10H,2-5,7H2,1H3
InChIKeyFXROLZGTNZSYMM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About 1-(cyclohepten-1-yl)ethanol

1-(cyclohepten-1-yl)ethanol (PubChem CID 11829541) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)ethanol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)ethanol
PubChem CID11829541
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(cyclohepten-1-yl)ethanol
SMILESCC(O)C1=CCCCCC1
InChIInChI=1S/C9H16O/c1-8(10)9-6-4-2-3-5-7-9/h6,8,10H,2-5,7H2,1H3
InChIKeyFXROLZGTNZSYMM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-(cyclohepten-1-yl)ethanol?
The IUPAC name of 1-(cyclohepten-1-yl)ethanol (CID 11829541) is 1-(cyclohepten-1-yl)ethanol.
What is the SMILES notation for 1-(cyclohepten-1-yl)ethanol?
The canonical SMILES for 1-(cyclohepten-1-yl)ethanol is CC(O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)ethanol?
The InChIKey is FXROLZGTNZSYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(10)9-6-4-2-3-5-7-9/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)ethanol?
1-(cyclohepten-1-yl)ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)ethanol is sourced from PubChem (CID 11829541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).