1-(cyclohexen-1-yl)-3-hydroxypropan-2-one

C9H14O2 — CID 130030095

IUPAC1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
SMILESO=C(CO)CC1=CCCCC1
InChIInChI=1S/C9H14O2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2
InChIKeyRJWHLSJANXSGOM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds3

About 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one

1-(cyclohexen-1-yl)-3-hydroxypropan-2-one (PubChem CID 130030095) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
PubChem CID130030095
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
SMILESO=C(CO)CC1=CCCCC1
InChIInChI=1S/C9H14O2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2
InChIKeyRJWHLSJANXSGOM-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
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

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1-(cycloocten-1-yl)-3-methylbutan-2-one
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methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cyclohexen-1-yl)-4-methylheptan-2-one
CID 116659771
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
cyclododecen-1-ylmethanol
CID 70464862
2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 55212957
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
1-(cyclohexen-1-yl)-3-methylpentan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one (CID 130030095) is 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one is O=C(CO)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one?
The InChIKey is RJWHLSJANXSGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-9(11)6-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one?
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-hydroxypropan-2-one is sourced from PubChem (CID 130030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).