2,5-dimethyl-4-propyloctane

C13H28 — CID 57491236

IUPAC2,5-dimethyl-4-propyloctane
SMILESCCCC(C)C(CCC)CC(C)C
InChIInChI=1S/C13H28/c1-6-8-12(5)13(9-7-2)10-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyJOWRJNSOZXBGBA-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 2,5-dimethyl-4-propyloctane

2,5-dimethyl-4-propyloctane (PubChem CID 57491236) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,5-dimethyl-4-propyloctane.

Molecular Properties

Compound Name2,5-dimethyl-4-propyloctane
PubChem CID57491236
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,5-dimethyl-4-propyloctane
SMILESCCCC(C)C(CCC)CC(C)C
InChIInChI=1S/C13H28/c1-6-8-12(5)13(9-7-2)10-11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyJOWRJNSOZXBGBA-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethyl-4-propyloctane 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

2,5,11-trimethyl-4-propyldodecane
CID 123176237
2-methyl-4-propan-2-ylheptane
CID 21201044
N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
CID 107897106
3-methyl-2-propylhexan-1-amine
CID 89026240
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
2,4-dimethyl-6-propylnonan-5-ol
CID 156689504
5-(2-methylpropyl)-7-pentan-2-yltetradecane
CID 123467304
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
6-ethyl-2,5-dimethylnonane
CID 54499682
2,2,3,3,4,7-hexamethyl-5-propyloctane
CID 123420918

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propyloctane?
The IUPAC name of 2,5-dimethyl-4-propyloctane (CID 57491236) is 2,5-dimethyl-4-propyloctane.
What is the SMILES notation for 2,5-dimethyl-4-propyloctane?
The canonical SMILES for 2,5-dimethyl-4-propyloctane is CCCC(C)C(CCC)CC(C)C.
What is the InChIKey of 2,5-dimethyl-4-propyloctane?
The InChIKey is JOWRJNSOZXBGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-12(5)13(9-7-2)10-11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,5-dimethyl-4-propyloctane?
2,5-dimethyl-4-propyloctane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propyloctane is sourced from PubChem (CID 57491236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).