4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one

C15H26O2 — CID 86053690

IUPAC4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one
SMILESCCCCCCCC(C)C1(O)C=CC(=O)CC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-13(2)15(17)11-9-14(16)10-12-15/h9,11,13,17H,3-8,10,12H2,1-2H3
InChIKeyUNGYKZMZICCRCU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.63
Rot. Bonds7

About 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one

4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one (PubChem CID 86053690) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one
PubChem CID86053690
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one
SMILESCCCCCCCC(C)C1(O)C=CC(=O)CC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-13(2)15(17)11-9-14(16)10-12-15/h9,11,13,17H,3-8,10,12H2,1-2H3
InChIKeyUNGYKZMZICCRCU-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.63
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

(S)-Oleuropeic acid
CID 12313716
Oleuropeic acid
CID 188320
Sedanonic acid
CID 12367058
3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
(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
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
CID 28809
8-Hydroxy-p-menth-4-en-3-one
CID 556628
(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one
CID 11449579
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one (CID 86053690) is 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one is CCCCCCCC(C)C1(O)C=CC(=O)CC1.
What is the InChIKey of 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one?
The InChIKey is UNGYKZMZICCRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-13(2)15(17)11-9-14(16)10-12-15/h9,11,13,17H,3-8,10,12H2,1-2H3.
What are the key properties of 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one?
4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-nonan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 86053690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).