1-(cyclohexen-1-yl)-4-hydroxybutan-1-one

C10H16O2 — CID 106677690

IUPAC1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1=CCCCC1
InChIInChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h5,11H,1-4,6-8H2
InChIKeyYTZRTJIMSYKPQH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds4

About 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one

1-(cyclohexen-1-yl)-4-hydroxybutan-1-one (PubChem CID 106677690) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
PubChem CID106677690
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1=CCCCC1
InChIInChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h5,11H,1-4,6-8H2
InChIKeyYTZRTJIMSYKPQH-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
CID 103448187
1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
1-(cyclopenten-1-yl)hex-5-en-1-one
CID 103847180
1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one
CID 106656095
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
carbon monoxide;3-(cyclobutadienyl)-1-(cyclohexen-1-yl)propan-1-one;iron
CID 10958407
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one (CID 106677690) is 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one is O=C(CCCO)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one?
The InChIKey is YTZRTJIMSYKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h5,11H,1-4,6-8H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one?
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 106677690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).