1-cyclohexylnonan-2-one

C15H28O — CID 22768059

IUPAC1-cyclohexylnonan-2-one
SMILESCCCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h14H,2-13H2,1H3
InChIKeyZANDHROYOWRLEG-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.89
Rot. Bonds8

About 1-cyclohexylnonan-2-one

1-cyclohexylnonan-2-one (PubChem CID 22768059) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclohexylnonan-2-one.

Molecular Properties

Compound Name1-cyclohexylnonan-2-one
PubChem CID22768059
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-cyclohexylnonan-2-one
SMILESCCCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h14H,2-13H2,1H3
InChIKeyZANDHROYOWRLEG-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
1-piperidin-4-ylundecan-2-one
CID 116559812
8-amino-1-cyclohexyloctan-2-one
CID 116551525
1-cyclopentylhenicosan-4-one
CID 521722
1-cyclopentylpentadecan-3-one
CID 114969105
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
8-amino-1-cyclopentyloctan-2-one
CID 116551528
9-[2-(dimethylamino)ethyl-heptylamino]-1-(4-methylcycloundecyl)nonan-2-one
CID 176995997
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylnonan-2-one?
The IUPAC name of 1-cyclohexylnonan-2-one (CID 22768059) is 1-cyclohexylnonan-2-one.
What is the SMILES notation for 1-cyclohexylnonan-2-one?
The canonical SMILES for 1-cyclohexylnonan-2-one is CCCCCCCC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexylnonan-2-one?
The InChIKey is ZANDHROYOWRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h14H,2-13H2,1H3.
What are the key properties of 1-cyclohexylnonan-2-one?
1-cyclohexylnonan-2-one has a molecular weight of 224.39 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylnonan-2-one is sourced from PubChem (CID 22768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).