3-butan-2-yl-1-methylcyclopropene

C8H14 — CID 123179212

IUPAC3-butan-2-yl-1-methylcyclopropene
SMILESCCC(C)C1C=C1C
InChIInChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h5-6,8H,4H2,1-3H3
InChIKeyGTHSRSVHNHDWEE-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds2

About 3-butan-2-yl-1-methylcyclopropene

3-butan-2-yl-1-methylcyclopropene (PubChem CID 123179212) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-butan-2-yl-1-methylcyclopropene.

Molecular Properties

Compound Name3-butan-2-yl-1-methylcyclopropene
PubChem CID123179212
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-butan-2-yl-1-methylcyclopropene
SMILESCCC(C)C1C=C1C
InChIInChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h5-6,8H,4H2,1-3H3
InChIKeyGTHSRSVHNHDWEE-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-butan-2-yl-1-methylcyclopropene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methylcyclopropene?
The IUPAC name of 3-butan-2-yl-1-methylcyclopropene (CID 123179212) is 3-butan-2-yl-1-methylcyclopropene.
What is the SMILES notation for 3-butan-2-yl-1-methylcyclopropene?
The canonical SMILES for 3-butan-2-yl-1-methylcyclopropene is CCC(C)C1C=C1C.
What is the InChIKey of 3-butan-2-yl-1-methylcyclopropene?
The InChIKey is GTHSRSVHNHDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-methylcyclopropene?
3-butan-2-yl-1-methylcyclopropene has a molecular weight of 110.20 g/mol, XLogP of 2.61, 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-1-methylcyclopropene is sourced from PubChem (CID 123179212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).