(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one

C11H20O — CID 70539958

IUPAC(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
SMILESCC(C)(C)[C@@H]1CCC(=O)C1(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)8-6-7-9(12)11(8,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBGYNLSJCVDDFPZ-QMMMGPOBSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds

About (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one

(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one (PubChem CID 70539958) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
PubChem CID70539958
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
SMILESCC(C)(C)[C@@H]1CCC(=O)C1(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)8-6-7-9(12)11(8,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBGYNLSJCVDDFPZ-QMMMGPOBSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one?
The IUPAC name of (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one (CID 70539958) is (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one is CC(C)(C)[C@@H]1CCC(=O)C1(C)C.
What is the InChIKey of (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one?
The InChIKey is BGYNLSJCVDDFPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)8-6-7-9(12)11(8,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one?
(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 70539958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).