2-(2,5-dimethylhexyl)cyclopentan-1-one

C13H24O — CID 54572047

IUPAC2-(2,5-dimethylhexyl)cyclopentan-1-one
SMILESCC(C)CCC(C)CC1CCCC1=O
InChIInChI=1S/C13H24O/c1-10(2)7-8-11(3)9-12-5-4-6-13(12)14/h10-12H,4-9H2,1-3H3
InChIKeyZXZDVIYRRVDCHJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds5

About 2-(2,5-dimethylhexyl)cyclopentan-1-one

2-(2,5-dimethylhexyl)cyclopentan-1-one (PubChem CID 54572047) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-(2,5-dimethylhexyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylhexyl)cyclopentan-1-one
PubChem CID54572047
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-(2,5-dimethylhexyl)cyclopentan-1-one
SMILESCC(C)CCC(C)CC1CCCC1=O
InChIInChI=1S/C13H24O/c1-10(2)7-8-11(3)9-12-5-4-6-13(12)14/h10-12H,4-9H2,1-3H3
InChIKeyZXZDVIYRRVDCHJ-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexyl)cyclopentan-1-one?
The IUPAC name of 2-(2,5-dimethylhexyl)cyclopentan-1-one (CID 54572047) is 2-(2,5-dimethylhexyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,5-dimethylhexyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,5-dimethylhexyl)cyclopentan-1-one is CC(C)CCC(C)CC1CCCC1=O.
What is the InChIKey of 2-(2,5-dimethylhexyl)cyclopentan-1-one?
The InChIKey is ZXZDVIYRRVDCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)7-8-11(3)9-12-5-4-6-13(12)14/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylhexyl)cyclopentan-1-one?
2-(2,5-dimethylhexyl)cyclopentan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexyl)cyclopentan-1-one is sourced from PubChem (CID 54572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).