1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone

C10H16O2 — CID 5371435

IUPAC1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone
SMILESC/C=C1/CCCCC1(O)C(C)=O
InChIInChI=1S/C10H16O2/c1-3-9-6-4-5-7-10(9,12)8(2)11/h3,12H,4-7H2,1-2H3/b9-3-
InChIKeyUCUCEMMELNKSHT-OQFOIZHKSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds1

About 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone

1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone (PubChem CID 5371435) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone
PubChem CID5371435
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone
SMILESC/C=C1/CCCCC1(O)C(C)=O
InChIInChI=1S/C10H16O2/c1-3-9-6-4-5-7-10(9,12)8(2)11/h3,12H,4-7H2,1-2H3/b9-3-
InChIKeyUCUCEMMELNKSHT-OQFOIZHKSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethenyl)-, (6S)-
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Verticinol A
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(6S)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 162909242
Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
CID 12280158
(2E)-1-(1-hydroxycyclohexyl)-2-buten-1-one
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Uzynbcochybccz-uhfffaoysa-
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(3s,9r,9As)-3-hydroxy-3,5,5,9-tetramethyl-5,6,7,8,9,9a-hexahydro-1h-benzo[7]annulen-2(3h)-one
CID 52951874
1-Hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
CID 102373500
1-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-hydroxy-2,4-dimethylpent-3-en-1-one
CID 10488597
6-Hydroxy-6,10-dimethylundec-9-en-5-one
CID 12447070
2-[(E)-4-hydroxy-4-methylpent-2-enyl]cyclohexan-1-one
CID 13734481
1-(1-Hydroxy-3-methylcyclohex-2-en-1-yl)nonan-1-one
CID 15413719

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone (CID 5371435) is 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone is C/C=C1/CCCCC1(O)C(C)=O.
What is the InChIKey of 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone?
The InChIKey is UCUCEMMELNKSHT-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-6-4-5-7-10(9,12)8(2)11/h3,12H,4-7H2,1-2H3/b9-3-.
What are the key properties of 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone?
1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethylidene-1-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 5371435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).