1-(5-hydroxycyclohex-3-en-1-yl)ethanone

C8H12O2 — CID 71436445

IUPAC1-(5-hydroxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CC=CC(O)C1
InChIInChI=1S/C8H12O2/c1-6(9)7-3-2-4-8(10)5-7/h2,4,7-8,10H,3,5H2,1H3
InChIKeyKIMAJIPTBZRAMH-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds1

About 1-(5-hydroxycyclohex-3-en-1-yl)ethanone

1-(5-hydroxycyclohex-3-en-1-yl)ethanone (PubChem CID 71436445) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(5-hydroxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxycyclohex-3-en-1-yl)ethanone
PubChem CID71436445
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(5-hydroxycyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CC=CC(O)C1
InChIInChI=1S/C8H12O2/c1-6(9)7-3-2-4-8(10)5-7/h2,4,7-8,10H,3,5H2,1H3
InChIKeyKIMAJIPTBZRAMH-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-hydroxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(5-hydroxycyclohex-3-en-1-yl)ethanone (CID 71436445) is 1-(5-hydroxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(5-hydroxycyclohex-3-en-1-yl)ethanone is CC(=O)C1CC=CC(O)C1.
What is the InChIKey of 1-(5-hydroxycyclohex-3-en-1-yl)ethanone?
The InChIKey is KIMAJIPTBZRAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(9)7-3-2-4-8(10)5-7/h2,4,7-8,10H,3,5H2,1H3.
What are the key properties of 1-(5-hydroxycyclohex-3-en-1-yl)ethanone?
1-(5-hydroxycyclohex-3-en-1-yl)ethanone has a molecular weight of 140.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 71436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).