16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one

C24H46O — CID 67693929

IUPAC16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCC1(C)CCCC1(C)C
InChIInChI=1S/C24H46O/c1-22(25)18-15-13-11-9-7-5-6-8-10-12-14-16-20-24(4)21-17-19-23(24,2)3/h5-21H2,1-4H3
InChIKeyXBOFEUZLUIECAL-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.25
Rot. Bonds15

About 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one

16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one (PubChem CID 67693929) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one.

Molecular Properties

Compound Name16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one
PubChem CID67693929
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCC1(C)CCCC1(C)C
InChIInChI=1S/C24H46O/c1-22(25)18-15-13-11-9-7-5-6-8-10-12-14-16-20-24(4)21-17-19-23(24,2)3/h5-21H2,1-4H3
InChIKeyXBOFEUZLUIECAL-UHFFFAOYSA-N
XLogP8.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.25
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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Frequently Asked Questions

What is the IUPAC name of 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one?
The IUPAC name of 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one (CID 67693929) is 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one.
What is the SMILES notation for 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one?
The canonical SMILES for 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one is CC(=O)CCCCCCCCCCCCCCC1(C)CCCC1(C)C.
What is the InChIKey of 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one?
The InChIKey is XBOFEUZLUIECAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-22(25)18-15-13-11-9-7-5-6-8-10-12-14-16-20-24(4)21-17-19-23(24,2)3/h5-21H2,1-4H3.
What are the key properties of 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one?
16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one has a molecular weight of 350.63 g/mol, XLogP of 8.25, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(1,2,2-trimethylcyclopentyl)hexadecan-2-one is sourced from PubChem (CID 67693929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).