1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane

C17H34 — CID 91145673

IUPAC1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
SMILESCCCC1CC(C)CCC1CC(C)(C)CCC
InChIInChI=1S/C17H34/c1-6-8-15-12-14(3)9-10-16(15)13-17(4,5)11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyXZBVEIKOSKKPON-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds6

About 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane

1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane (PubChem CID 91145673) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
PubChem CID91145673
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
SMILESCCCC1CC(C)CCC1CC(C)(C)CCC
InChIInChI=1S/C17H34/c1-6-8-15-12-14(3)9-10-16(15)13-17(4,5)11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyXZBVEIKOSKKPON-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 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
2-methyl-1,3-dipropylcyclopentane
CID 90887551
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
4-methyl-2-propylcyclohexane-1-carbonitrile
CID 142857903
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
CID 123325960
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane?
The IUPAC name of 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane (CID 91145673) is 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane?
The canonical SMILES for 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane is CCCC1CC(C)CCC1CC(C)(C)CCC.
What is the InChIKey of 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane?
The InChIKey is XZBVEIKOSKKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-8-15-12-14(3)9-10-16(15)13-17(4,5)11-7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane?
1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane 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 1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane is sourced from PubChem (CID 91145673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).