2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane

C12H24 — CID 123420159

IUPAC2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
SMILESCCC1C(CCC(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-6-10-11(12(10,4)5)8-7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyOFVOCDSLNIUSJB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane

2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane (PubChem CID 123420159) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane.

Molecular Properties

Compound Name2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
PubChem CID123420159
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
SMILESCCC1C(CCC(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-6-10-11(12(10,4)5)8-7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyOFVOCDSLNIUSJB-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)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 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane?
The IUPAC name of 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane (CID 123420159) is 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane.
What is the SMILES notation for 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane?
The canonical SMILES for 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane is CCC1C(CCC(C)C)C1(C)C.
What is the InChIKey of 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane?
The InChIKey is OFVOCDSLNIUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-10-11(12(10,4)5)8-7-9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane?
2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane is sourced from PubChem (CID 123420159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).