2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one

C14H18O — CID 102201716

IUPAC2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
SMILESCc1ccccc1C1CCC(=O)C1(C)C
InChIInChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyLDGOEIRFZBZSST-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.47
Rot. Bonds1

About 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one

2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one (PubChem CID 102201716) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
PubChem CID102201716
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
SMILESCc1ccccc1C1CCC(=O)C1(C)C
InChIInChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyLDGOEIRFZBZSST-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one (CID 102201716) is 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one is Cc1ccccc1C1CCC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The InChIKey is LDGOEIRFZBZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 102201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).