1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one

C10H14O2 — CID 69091457

IUPAC1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one
SMILESO=C(CC=CO)C1=CCCCC1
InChIInChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4-5,8,11H,1-3,6-7H2
InChIKeyPZDDVWYGAWIQDA-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.52
Rot. Bonds3

About 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one

1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one (PubChem CID 69091457) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one
PubChem CID69091457
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one
SMILESO=C(CC=CO)C1=CCCCC1
InChIInChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4-5,8,11H,1-3,6-7H2
InChIKeyPZDDVWYGAWIQDA-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohex-1-en-1-yl)prop-2-en-1-one
CID 12468905
1-(Cyclohexen-1-yl)but-3-en-1-one
CID 12204342
2-Pentylcyclohexa-2,5-diene-1,4-dione
CID 15757574
Hydroxydecyl benzoquinone
CID 68632469
(Z)-1-(4-fluorocyclohexen-1-yl)-3-methoxyprop-2-en-1-one
CID 149295052
3-(3-Hydroxypropyl)cyclohex-2-en-1-one
CID 12438417
2-Hex-5-enylcyclohexa-2,5-diene-1,4-dione
CID 134985879
(E)-1-hydroxy-3-methyldec-2-en-4-one
CID 13624469
(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one
CID 10997100
9-(3,6-Dioxocyclohexa-1,4-dien-1-yl)nonanal
CID 14907556
(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
CID 18459084
2-(Cyclohexen-1-yl)-2-oxoacetaldehyde
CID 20340207

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one (CID 69091457) is 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one is O=C(CC=CO)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one?
The InChIKey is PZDDVWYGAWIQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4-5,8,11H,1-3,6-7H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one?
1-(cyclohexen-1-yl)-4-hydroxybut-3-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.52, 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)-4-hydroxybut-3-en-1-one is sourced from PubChem (CID 69091457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).