3-tert-butyl-2-methylcyclopent-2-en-1-one

C10H16O — CID 11084066

IUPAC3-tert-butyl-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C(C)(C)C)CCC1=O
InChIInChI=1S/C10H16O/c1-7-8(10(2,3)4)5-6-9(7)11/h5-6H2,1-4H3
InChIKeyFFFSXTZEQAFWGM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds

About 3-tert-butyl-2-methylcyclopent-2-en-1-one

3-tert-butyl-2-methylcyclopent-2-en-1-one (PubChem CID 11084066) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-tert-butyl-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-tert-butyl-2-methylcyclopent-2-en-1-one
PubChem CID11084066
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-tert-butyl-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C(C)(C)C)CCC1=O
InChIInChI=1S/C10H16O/c1-7-8(10(2,3)4)5-6-9(7)11/h5-6H2,1-4H3
InChIKeyFFFSXTZEQAFWGM-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
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2-methoxy-3-methylcyclohex-2-ene-1,4-dione
CID 5314614
(1S)-1-(2-tert-butylcyclobuten-1-yl)ethanamine
CID 175621404
1,2-ditert-butylcyclohexene;5,6-ditert-butyl-3,4-dihydro-1H-pyridin-2-one
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CID 24747264
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
3-bromo-2-methylcyclohex-2-en-1-one
CID 557251
3-cyclohexyl-2-methylcyclopent-2-en-1-one
CID 101018406
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
3-but-3-enyl-2-methylcyclopent-2-en-1-one
CID 10261250
CID 88883225
CID 88883225

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-tert-butyl-2-methylcyclopent-2-en-1-one (CID 11084066) is 3-tert-butyl-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-tert-butyl-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-tert-butyl-2-methylcyclopent-2-en-1-one is CC1=C(C(C)(C)C)CCC1=O.
What is the InChIKey of 3-tert-butyl-2-methylcyclopent-2-en-1-one?
The InChIKey is FFFSXTZEQAFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-8(10(2,3)4)5-6-9(7)11/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methylcyclopent-2-en-1-one?
3-tert-butyl-2-methylcyclopent-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11084066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).