3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane

C15H30 — CID 123234446

IUPAC3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane
SMILESCCC1(C)CCC(CC(C)CC(C)C)C1
InChIInChI=1S/C15H30/c1-6-15(5)8-7-14(11-15)10-13(4)9-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyTWQWGDRTHQMSDD-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane

3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane (PubChem CID 123234446) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane.

Molecular Properties

Compound Name3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane
PubChem CID123234446
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane
SMILESCCC1(C)CCC(CC(C)CC(C)C)C1
InChIInChI=1S/C15H30/c1-6-15(5)8-7-14(11-15)10-13(4)9-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyTWQWGDRTHQMSDD-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane 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 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane?
The IUPAC name of 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane (CID 123234446) is 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane.
What is the SMILES notation for 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane?
The canonical SMILES for 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane is CCC1(C)CCC(CC(C)CC(C)C)C1.
What is the InChIKey of 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane?
The InChIKey is TWQWGDRTHQMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-15(5)8-7-14(11-15)10-13(4)9-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane?
3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentyl)-1-ethyl-1-methylcyclopentane is sourced from PubChem (CID 123234446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).