3-(3,3-dimethylpentyl)cyclopropene

C10H18 — CID 70378856

IUPAC3-(3,3-dimethylpentyl)cyclopropene
SMILESCCC(C)(C)CCC1C=C1
InChIInChI=1S/C10H18/c1-4-10(2,3)8-7-9-5-6-9/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOSWGKRLKDYWEQO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds4

About 3-(3,3-dimethylpentyl)cyclopropene

3-(3,3-dimethylpentyl)cyclopropene (PubChem CID 70378856) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-(3,3-dimethylpentyl)cyclopropene.

Molecular Properties

Compound Name3-(3,3-dimethylpentyl)cyclopropene
PubChem CID70378856
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-(3,3-dimethylpentyl)cyclopropene
SMILESCCC(C)(C)CCC1C=C1
InChIInChI=1S/C10H18/c1-4-10(2,3)8-7-9-5-6-9/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOSWGKRLKDYWEQO-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-(3,3-dimethylpentyl)cyclopropene with MolForge

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

Launch Full Analysis

Related Compounds

3,3-dimethylhexane
CID 11233
1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
CID 123230670
3,3,9,9-tetramethylundecane
CID 20661116
3,3,19,19-tetramethylhenicosane
CID 123780647
CID 123373948
CID 123373948
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
3,3-dimethylpentane;propane
CID 90942978
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
4,4-dimethylhexanoic acid
CID 12563914
1,1,1,3-tetrafluoro-2,2,3,6,6-pentamethyloctane
CID 122663944

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentyl)cyclopropene?
The IUPAC name of 3-(3,3-dimethylpentyl)cyclopropene (CID 70378856) is 3-(3,3-dimethylpentyl)cyclopropene.
What is the SMILES notation for 3-(3,3-dimethylpentyl)cyclopropene?
The canonical SMILES for 3-(3,3-dimethylpentyl)cyclopropene is CCC(C)(C)CCC1C=C1.
What is the InChIKey of 3-(3,3-dimethylpentyl)cyclopropene?
The InChIKey is OSWGKRLKDYWEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-10(2,3)8-7-9-5-6-9/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 3-(3,3-dimethylpentyl)cyclopropene?
3-(3,3-dimethylpentyl)cyclopropene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentyl)cyclopropene is sourced from PubChem (CID 70378856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).