1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane

C10H18 — CID 579296

IUPAC1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane
SMILESCC(C)=CC1C(C)C1(C)C
InChIInChI=1S/C10H18/c1-7(2)6-9-8(3)10(9,4)5/h6,8-9H,1-5H3
InChIKeyIBGKVOSPAXQRCR-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds1

About 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane

1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane (PubChem CID 579296) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane
PubChem CID579296
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane
SMILESCC(C)=CC1C(C)C1(C)C
InChIInChI=1S/C10H18/c1-7(2)6-9-8(3)10(9,4)5/h6,8-9H,1-5H3
InChIKeyIBGKVOSPAXQRCR-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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'}

Analyze 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane 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 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane?
The IUPAC name of 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane (CID 579296) is 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane?
The canonical SMILES for 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane is CC(C)=CC1C(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane?
The InChIKey is IBGKVOSPAXQRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)6-9-8(3)10(9,4)5/h6,8-9H,1-5H3.
What are the key properties of 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane?
1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropane is sourced from PubChem (CID 579296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).