4-hydroxy-4-nonylcyclohex-2-en-1-one

C15H26O2 — CID 86053696

IUPAC4-hydroxy-4-nonylcyclohex-2-en-1-one
SMILESCCCCCCCCCC1(O)C=CC(=O)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-11-15(17)12-9-14(16)10-13-15/h9,12,17H,2-8,10-11,13H2,1H3
InChIKeyCTOTYRVFLQVXDV-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.78
Rot. Bonds8

About 4-hydroxy-4-nonylcyclohex-2-en-1-one

4-hydroxy-4-nonylcyclohex-2-en-1-one (PubChem CID 86053696) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-hydroxy-4-nonylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-nonylcyclohex-2-en-1-one
PubChem CID86053696
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-hydroxy-4-nonylcyclohex-2-en-1-one
SMILESCCCCCCCCCC1(O)C=CC(=O)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-11-15(17)12-9-14(16)10-13-15/h9,12,17H,2-8,10-11,13H2,1H3
InChIKeyCTOTYRVFLQVXDV-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 12367058
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CID 14633004
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CID 155549594
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Indicumenone
CID 46173956
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
CID 11062797
8-Hydroxy-p-menth-4-en-3-one
CID 556628
(2E)-1-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CID 5366075
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(4R)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-5,5-dimethylcyclohex-2-en-1-one
CID 44559269
(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
CID 163190826
(R)-4-Hexadecyl-4-hydroxy-cyclopent-2-enone
CID 44386706

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-nonylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-4-nonylcyclohex-2-en-1-one (CID 86053696) is 4-hydroxy-4-nonylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-nonylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-nonylcyclohex-2-en-1-one is CCCCCCCCCC1(O)C=CC(=O)CC1.
What is the InChIKey of 4-hydroxy-4-nonylcyclohex-2-en-1-one?
The InChIKey is CTOTYRVFLQVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-11-15(17)12-9-14(16)10-13-15/h9,12,17H,2-8,10-11,13H2,1H3.
What are the key properties of 4-hydroxy-4-nonylcyclohex-2-en-1-one?
4-hydroxy-4-nonylcyclohex-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-nonylcyclohex-2-en-1-one is sourced from PubChem (CID 86053696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).