1-(cyclohexen-1-yl)ethanol

C8H14O — CID 537539

IUPAC1-(cyclohexen-1-yl)ethanol
SMILESCC(O)C1=CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3
InChIKeyFAYUSHUTMRYHAD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds1

About 1-(cyclohexen-1-yl)ethanol

1-(cyclohexen-1-yl)ethanol (PubChem CID 537539) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethanol
PubChem CID537539
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(cyclohexen-1-yl)ethanol
SMILESCC(O)C1=CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3
InChIKeyFAYUSHUTMRYHAD-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
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-(cyclohexen-1-yl)ethanol?
The IUPAC name of 1-(cyclohexen-1-yl)ethanol (CID 537539) is 1-(cyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)ethanol is CC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethanol?
The InChIKey is FAYUSHUTMRYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)ethanol?
1-(cyclohexen-1-yl)ethanol has a molecular weight of 126.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethanol is sourced from PubChem (CID 537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).