4-hydroxy-5-propylcyclohex-2-en-1-one

C9H14O2 — CID 130036354

IUPAC4-hydroxy-5-propylcyclohex-2-en-1-one
SMILESCCCC1CC(=O)C=CC1O
InChIInChI=1S/C9H14O2/c1-2-3-7-6-8(10)4-5-9(7)11/h4-5,7,9,11H,2-3,6H2,1H3
InChIKeyJKISFEVELNLUAV-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds2

About 4-hydroxy-5-propylcyclohex-2-en-1-one

4-hydroxy-5-propylcyclohex-2-en-1-one (PubChem CID 130036354) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-hydroxy-5-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-propylcyclohex-2-en-1-one
PubChem CID130036354
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-hydroxy-5-propylcyclohex-2-en-1-one
SMILESCCCC1CC(=O)C=CC1O
InChIInChI=1S/C9H14O2/c1-2-3-7-6-8(10)4-5-9(7)11/h4-5,7,9,11H,2-3,6H2,1H3
InChIKeyJKISFEVELNLUAV-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vomifoliol, (+)-
CID 5280462
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
Comosone A
CID 52952530
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
3-Hydroxy-p-mentha-1,8-dien-7-al
CID 85247137
(6S,9S)-vomifoliol
CID 10537120
(6S)-vomifoliol
CID 12444927
Ampelomin A
CID 25243398
2-Cyclohexen-1-one, 4-hydroxy-2-methyl-5-(1-methylethyl)-, (4R,5S)-rel-
CID 44234541

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-5-propylcyclohex-2-en-1-one (CID 130036354) is 4-hydroxy-5-propylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-propylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-propylcyclohex-2-en-1-one is CCCC1CC(=O)C=CC1O.
What is the InChIKey of 4-hydroxy-5-propylcyclohex-2-en-1-one?
The InChIKey is JKISFEVELNLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-7-6-8(10)4-5-9(7)11/h4-5,7,9,11H,2-3,6H2,1H3.
What are the key properties of 4-hydroxy-5-propylcyclohex-2-en-1-one?
4-hydroxy-5-propylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propylcyclohex-2-en-1-one is sourced from PubChem (CID 130036354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).