2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one

C12H22O — CID 23559828

IUPAC2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
SMILESCC(C)(C)C(C)(C)C1CCCC1=O
InChIInChI=1S/C12H22O/c1-11(2,3)12(4,5)9-7-6-8-10(9)13/h9H,6-8H2,1-5H3
InChIKeyOHOATTLIRRLVEC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds1

About 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one

2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one (PubChem CID 23559828) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
PubChem CID23559828
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
SMILESCC(C)(C)C(C)(C)C1CCCC1=O
InChIInChI=1S/C12H22O/c1-11(2,3)12(4,5)9-7-6-8-10(9)13/h9H,6-8H2,1-5H3
InChIKeyOHOATTLIRRLVEC-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one (CID 23559828) is 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one is CC(C)(C)C(C)(C)C1CCCC1=O.
What is the InChIKey of 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one?
The InChIKey is OHOATTLIRRLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,3)12(4,5)9-7-6-8-10(9)13/h9H,6-8H2,1-5H3.
What are the key properties of 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one?
2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 23559828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).