(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane

C17H34 — CID 163612675

IUPAC(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
SMILESCCC(C)C(CC)(CC)C(C)(C)C1CCCC1
InChIInChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3
InChIKeyHHHDLJUBOKFIMR-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds6

About (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane

(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane (PubChem CID 163612675) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
PubChem CID163612675
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
SMILESCCC(C)C(CC)(CC)C(C)(C)C1CCCC1
InChIInChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3
InChIKeyHHHDLJUBOKFIMR-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane 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 (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The IUPAC name of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane (CID 163612675) is (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane.
What is the SMILES notation for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The canonical SMILES for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane is CCC(C)C(CC)(CC)C(C)(C)C1CCCC1.
What is the InChIKey of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The InChIKey is HHHDLJUBOKFIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3.
What are the key properties of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane is sourced from PubChem (CID 163612675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).