1-cyclopentylundecan-2-one

C16H30O — CID 114966416

IUPAC1-cyclopentylundecan-2-one
SMILESCCCCCCCCCC(=O)CC1CCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-13-16(17)14-15-11-9-10-12-15/h15H,2-14H2,1H3
InChIKeySCWIKAOSPUJTFF-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.28
Rot. Bonds10

About 1-cyclopentylundecan-2-one

1-cyclopentylundecan-2-one (PubChem CID 114966416) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-cyclopentylundecan-2-one.

Molecular Properties

Compound Name1-cyclopentylundecan-2-one
PubChem CID114966416
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-cyclopentylundecan-2-one
SMILESCCCCCCCCCC(=O)CC1CCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-13-16(17)14-15-11-9-10-12-15/h15H,2-14H2,1H3
InChIKeySCWIKAOSPUJTFF-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.28
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

1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclohexylnonan-2-one
CID 22768059
1-piperidin-4-ylundecan-2-one
CID 116559812
1-cyclopentylhenicosan-4-one
CID 521722
1-cyclopentylpentadecan-3-one
CID 114969105
8-amino-1-cyclopentyloctan-2-one
CID 116551528
8-amino-1-cyclohexyloctan-2-one
CID 116551525
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
9-[2-(dimethylamino)ethyl-heptylamino]-1-(4-methylcycloundecyl)nonan-2-one
CID 176995997
1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
CID 116588294
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352
1-(8-azabicyclo[3.2.1]octan-3-yl)decan-2-one
CID 116588219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylundecan-2-one?
The IUPAC name of 1-cyclopentylundecan-2-one (CID 114966416) is 1-cyclopentylundecan-2-one.
What is the SMILES notation for 1-cyclopentylundecan-2-one?
The canonical SMILES for 1-cyclopentylundecan-2-one is CCCCCCCCCC(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentylundecan-2-one?
The InChIKey is SCWIKAOSPUJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-13-16(17)14-15-11-9-10-12-15/h15H,2-14H2,1H3.
What are the key properties of 1-cyclopentylundecan-2-one?
1-cyclopentylundecan-2-one has a molecular weight of 238.41 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylundecan-2-one is sourced from PubChem (CID 114966416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).