3-butan-2-yl-5-methylcyclopentene

C10H18 — CID 143604175

IUPAC3-butan-2-yl-5-methylcyclopentene
SMILESCCC(C)C1C=CC(C)C1
InChIInChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h5-6,8-10H,4,7H2,1-3H3
InChIKeySLFMVHSQLKJCMX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds2

About 3-butan-2-yl-5-methylcyclopentene

3-butan-2-yl-5-methylcyclopentene (PubChem CID 143604175) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-butan-2-yl-5-methylcyclopentene.

Molecular Properties

Compound Name3-butan-2-yl-5-methylcyclopentene
PubChem CID143604175
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-butan-2-yl-5-methylcyclopentene
SMILESCCC(C)C1C=CC(C)C1
InChIInChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h5-6,8-10H,4,7H2,1-3H3
InChIKeySLFMVHSQLKJCMX-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
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;methane
CID 143604174
3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
CID 163706174
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
6-butan-2-yl-3-(3,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]cyclohexene
CID 118242739
3-methyl-6-(5-methyloctan-2-yl)cyclohexene
CID 123615125
bicyclo[2.2.1]hept-2-ene;2-methylbutane
CID 167695695
2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol
CID 89359665
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
CID 149377273
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-methylcyclopentene?
The IUPAC name of 3-butan-2-yl-5-methylcyclopentene (CID 143604175) is 3-butan-2-yl-5-methylcyclopentene.
What is the SMILES notation for 3-butan-2-yl-5-methylcyclopentene?
The canonical SMILES for 3-butan-2-yl-5-methylcyclopentene is CCC(C)C1C=CC(C)C1.
What is the InChIKey of 3-butan-2-yl-5-methylcyclopentene?
The InChIKey is SLFMVHSQLKJCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-methylcyclopentene?
3-butan-2-yl-5-methylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-methylcyclopentene is sourced from PubChem (CID 143604175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).