1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane

C12H22 — CID 123234832

IUPAC1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCCC1(CC2CC2C)CC1(C)C
InChIInChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3
InChIKeyZVEXOYHKEDEPTN-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds3

About 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane

1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane (PubChem CID 123234832) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
PubChem CID123234832
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCCC1(CC2CC2C)CC1(C)C
InChIInChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3
InChIKeyZVEXOYHKEDEPTN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]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-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The IUPAC name of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane (CID 123234832) is 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane is CCC1(CC2CC2C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
The InChIKey is ZVEXOYHKEDEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-12(8-11(12,3)4)7-10-6-9(10)2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane?
1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane is sourced from PubChem (CID 123234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).