1,1-dimethyl-2-(2-methylpropyl)cyclopropane

C9H18 — CID 20782539

IUPAC1,1-dimethyl-2-(2-methylpropyl)cyclopropane
SMILESCC(C)CC1CC1(C)C
InChIInChI=1S/C9H18/c1-7(2)5-8-6-9(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyIBXBDDLMRGLQAP-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds2

About 1,1-dimethyl-2-(2-methylpropyl)cyclopropane

1,1-dimethyl-2-(2-methylpropyl)cyclopropane (PubChem CID 20782539) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylpropyl)cyclopropane
PubChem CID20782539
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,1-dimethyl-2-(2-methylpropyl)cyclopropane
SMILESCC(C)CC1CC1(C)C
InChIInChI=1S/C9H18/c1-7(2)5-8-6-9(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyIBXBDDLMRGLQAP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-dimethyl-2-(2-methylpropyl)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-dimethyl-2-(2-methylpropyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(2-methylpropyl)cyclopropane (CID 20782539) is 1,1-dimethyl-2-(2-methylpropyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylpropyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(2-methylpropyl)cyclopropane is CC(C)CC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2-methylpropyl)cyclopropane?
The InChIKey is IBXBDDLMRGLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-7(2)5-8-6-9(8,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1-dimethyl-2-(2-methylpropyl)cyclopropane?
1,1-dimethyl-2-(2-methylpropyl)cyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylpropyl)cyclopropane is sourced from PubChem (CID 20782539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).