3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene

C12H22 — CID 163706174

IUPAC3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
SMILESCC[C@H](C)C1C=CC(C(C)C)C1
InChIInChI=1S/C12H22/c1-5-10(4)12-7-6-11(8-12)9(2)3/h6-7,9-12H,5,8H2,1-4H3/t10-,11?,12?/m0/s1
InChIKeyKFGRVQSCZVEFEI-UNXYVOJBSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds3

About 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene

3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene (PubChem CID 163706174) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
PubChem CID163706174
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
SMILESCC[C@H](C)C1C=CC(C(C)C)C1
InChIInChI=1S/C12H22/c1-5-10(4)12-7-6-11(8-12)9(2)3/h6-7,9-12H,5,8H2,1-4H3/t10-,11?,12?/m0/s1
InChIKeyKFGRVQSCZVEFEI-UNXYVOJBSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-5-methylcyclopentene
CID 143604175
3-butan-2-yl-5-methylcyclopentene;methane
CID 143604174
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
6-butan-2-yl-3-(3,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]cyclohexene
CID 118242739
bicyclo[2.2.1]hept-2-ene;2-methylbutane
CID 167695695
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexadecane
CID 123713671
methyl 2-amino-5-propan-2-ylcyclohex-3-ene-1-carboxylate
CID 45089407
2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol
CID 89359665

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene?
The IUPAC name of 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene (CID 163706174) is 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene?
The canonical SMILES for 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene is CC[C@H](C)C1C=CC(C(C)C)C1.
What is the InChIKey of 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene?
The InChIKey is KFGRVQSCZVEFEI-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H22/c1-5-10(4)12-7-6-11(8-12)9(2)3/h6-7,9-12H,5,8H2,1-4H3/t10-,11?,12?/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene?
3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene has a molecular weight of 166.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene is sourced from PubChem (CID 163706174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).