1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane

C16H30 — CID 91373540

IUPAC1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane
SMILESCCCC(C)CC1CC1C=C(C)C(C)CC
InChIInChI=1S/C16H30/c1-6-8-12(3)9-15-11-16(15)10-14(5)13(4)7-2/h10,12-13,15-16H,6-9,11H2,1-5H3
InChIKeyLNIRACPAHOYAEN-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds7

About 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane

1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane (PubChem CID 91373540) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane
PubChem CID91373540
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane
SMILESCCCC(C)CC1CC1C=C(C)C(C)CC
InChIInChI=1S/C16H30/c1-6-8-12(3)9-15-11-16(15)10-14(5)13(4)7-2/h10,12-13,15-16H,6-9,11H2,1-5H3
InChIKeyLNIRACPAHOYAEN-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane 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

1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
N-methyl-2-(2-methylpentyl)cyclopropan-1-amine
CID 163758904
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
CID 142190190
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703
[2-(2-methylpentyl)cyclohexyl]methanamine
CID 81009598
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
CID 91455933
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane?
The IUPAC name of 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane (CID 91373540) is 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane.
What is the SMILES notation for 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane?
The canonical SMILES for 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane is CCCC(C)CC1CC1C=C(C)C(C)CC.
What is the InChIKey of 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane?
The InChIKey is LNIRACPAHOYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-8-12(3)9-15-11-16(15)10-14(5)13(4)7-2/h10,12-13,15-16H,6-9,11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane?
1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane is sourced from PubChem (CID 91373540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).