3-(2,2-dimethylbutyl)-1-methylcyclopropene

C10H18 — CID 123546258

IUPAC3-(2,2-dimethylbutyl)-1-methylcyclopropene
SMILESCCC(C)(C)CC1C=C1C
InChIInChI=1S/C10H18/c1-5-10(3,4)7-9-6-8(9)2/h6,9H,5,7H2,1-4H3
InChIKeyDDQOHENDUWMXGH-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds3

About 3-(2,2-dimethylbutyl)-1-methylcyclopropene

3-(2,2-dimethylbutyl)-1-methylcyclopropene (PubChem CID 123546258) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-1-methylcyclopropene.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-1-methylcyclopropene
PubChem CID123546258
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-(2,2-dimethylbutyl)-1-methylcyclopropene
SMILESCCC(C)(C)CC1C=C1C
InChIInChI=1S/C10H18/c1-5-10(3,4)7-9-6-8(9)2/h6,9H,5,7H2,1-4H3
InChIKeyDDQOHENDUWMXGH-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylbutyl)-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-(2,2-dimethylbutyl)-1-methylcyclopropene?
The IUPAC name of 3-(2,2-dimethylbutyl)-1-methylcyclopropene (CID 123546258) is 3-(2,2-dimethylbutyl)-1-methylcyclopropene.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-1-methylcyclopropene?
The canonical SMILES for 3-(2,2-dimethylbutyl)-1-methylcyclopropene is CCC(C)(C)CC1C=C1C.
What is the InChIKey of 3-(2,2-dimethylbutyl)-1-methylcyclopropene?
The InChIKey is DDQOHENDUWMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-10(3,4)7-9-6-8(9)2/h6,9H,5,7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylbutyl)-1-methylcyclopropene?
3-(2,2-dimethylbutyl)-1-methylcyclopropene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-1-methylcyclopropene is sourced from PubChem (CID 123546258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).