(2S)-2-tert-butyl-2-methylcyclopentan-1-one

C10H18O — CID 58159062

IUPAC(2S)-2-tert-butyl-2-methylcyclopentan-1-one
SMILESCC(C)(C)[C@]1(C)CCCC1=O
InChIInChI=1S/C10H18O/c1-9(2,3)10(4)7-5-6-8(10)11/h5-7H2,1-4H3/t10-/m1/s1
InChIKeySQHZAEKXQGTIKD-SNVBAGLBSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds

About (2S)-2-tert-butyl-2-methylcyclopentan-1-one

(2S)-2-tert-butyl-2-methylcyclopentan-1-one (PubChem CID 58159062) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2-methylcyclopentan-1-one
PubChem CID58159062
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S)-2-tert-butyl-2-methylcyclopentan-1-one
SMILESCC(C)(C)[C@]1(C)CCCC1=O
InChIInChI=1S/C10H18O/c1-9(2,3)10(4)7-5-6-8(10)11/h5-7H2,1-4H3/t10-/m1/s1
InChIKeySQHZAEKXQGTIKD-SNVBAGLBSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-2-(trifluoromethyl)cyclohexan-1-one
CID 86314818
3-tert-butyl-1,2,3-trimethylcyclohexene;ethane
CID 145450127
6-bromo-2-tert-butyl-2-methylcyclohexan-1-one
CID 90138291
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
2-tert-butylperoxy-2,3,3-trimethylcyclohexan-1-one
CID 175398409
5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 130149139
2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
CID 115024376
2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
CID 67592134
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one
CID 100963722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2-methylcyclopentan-1-one?
The IUPAC name of (2S)-2-tert-butyl-2-methylcyclopentan-1-one (CID 58159062) is (2S)-2-tert-butyl-2-methylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-tert-butyl-2-methylcyclopentan-1-one?
The canonical SMILES for (2S)-2-tert-butyl-2-methylcyclopentan-1-one is CC(C)(C)[C@]1(C)CCCC1=O.
What is the InChIKey of (2S)-2-tert-butyl-2-methylcyclopentan-1-one?
The InChIKey is SQHZAEKXQGTIKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2,3)10(4)7-5-6-8(10)11/h5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-2-methylcyclopentan-1-one?
(2S)-2-tert-butyl-2-methylcyclopentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2-methylcyclopentan-1-one is sourced from PubChem (CID 58159062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).