2,5-dimethylheptane

C9H20 — CID 16662

IUPAC2,5-dimethylheptane
SMILESCCC(C)CCC(C)C
InChIInChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyHQZHQNKZOYIKQC-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds4

About 2,5-dimethylheptane

2,5-dimethylheptane (PubChem CID 16662) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2,5-dimethylheptane.

Molecular Properties

Compound Name2,5-dimethylheptane
PubChem CID16662
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2,5-dimethylheptane
SMILESCCC(C)CCC(C)C
InChIInChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyHQZHQNKZOYIKQC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethylheptane 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

Pristane
CID 15979
2-Methylheptane
CID 11594
2-Methyldecane
CID 23415
3-Methylhexane
CID 11507
Squalane
CID 8089
2,4-Dimethylhexane
CID 11511
1,3-Dimethylcyclohexane
CID 11564
Phytane
CID 12523
2-Methyloctane
CID 18591
3,4-Dimethylheptane
CID 13534
2,3-Dimethylhexane
CID 11447
4-Methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptane?
The IUPAC name of 2,5-dimethylheptane (CID 16662) is 2,5-dimethylheptane.
What is the SMILES notation for 2,5-dimethylheptane?
The canonical SMILES for 2,5-dimethylheptane is CCC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylheptane?
The InChIKey is HQZHQNKZOYIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,5-dimethylheptane?
2,5-dimethylheptane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptane is sourced from PubChem (CID 16662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).