1-(1-hydroxycyclohexyl)pent-4-en-1-one

C11H18O2 — CID 10012570

IUPAC1-(1-hydroxycyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C11H18O2/c1-2-3-7-10(12)11(13)8-5-4-6-9-11/h2,13H,1,3-9H2
InChIKeyFMWDNEYDZARVAH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.22
Rot. Bonds4

About 1-(1-hydroxycyclohexyl)pent-4-en-1-one

1-(1-hydroxycyclohexyl)pent-4-en-1-one (PubChem CID 10012570) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)pent-4-en-1-one
PubChem CID10012570
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(1-hydroxycyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C11H18O2/c1-2-3-7-10(12)11(13)8-5-4-6-9-11/h2,13H,1,3-9H2
InChIKeyFMWDNEYDZARVAH-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.22
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

(2S,5R)-2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone
CID 443522
(1R,4S)-1-hydroxylimonen-2-one
CID 24883459
1-Hydroxymenth-8-en-2-one
CID 262800
(2E)-1-(1-hydroxycyclohexyl)-2-buten-1-one
CID 12596917
(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one
CID 102347698
(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 10888312
2-Ethenyl-2-hydroxycyclohexan-1-one
CID 13397600
4-Allyl-4-hydroxycyclohexan-1-one
CID 59200781
cis-(2R,3S)-2-but-3-en-2-yl-2-hydroxy-3-methylcyclohexan-1-one
CID 14470982
cis-(2S,3S)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
CID 134931117
2-Hydroxy-2-(2-methylbut-3-en-2-yl)cyclohexan-1-one
CID 11063051
2-But-3-en-2-yl-2-hydroxycyclohexan-1-one
CID 13056272

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)pent-4-en-1-one?
The IUPAC name of 1-(1-hydroxycyclohexyl)pent-4-en-1-one (CID 10012570) is 1-(1-hydroxycyclohexyl)pent-4-en-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)pent-4-en-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexyl)pent-4-en-1-one is C=CCCC(=O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)pent-4-en-1-one?
The InChIKey is FMWDNEYDZARVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-7-10(12)11(13)8-5-4-6-9-11/h2,13H,1,3-9H2.
What are the key properties of 1-(1-hydroxycyclohexyl)pent-4-en-1-one?
1-(1-hydroxycyclohexyl)pent-4-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)pent-4-en-1-one is sourced from PubChem (CID 10012570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).