2,5-dimethylhexane

C8H18 — CID 11592

IUPAC2,5-dimethylhexane
SMILESCC(C)CCC(C)C
InChIInChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUWNADWZGEHDQAB-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.08
Rot. Bonds3

About 2,5-dimethylhexane

2,5-dimethylhexane (PubChem CID 11592) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-dimethylhexane
PubChem CID11592
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name2,5-dimethylhexane
SMILESCC(C)CCC(C)C
InChIInChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUWNADWZGEHDQAB-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane?
The IUPAC name of 2,5-dimethylhexane (CID 11592) is 2,5-dimethylhexane.
What is the SMILES notation for 2,5-dimethylhexane?
The canonical SMILES for 2,5-dimethylhexane is CC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylhexane?
The InChIKey is UWNADWZGEHDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethylhexane?
2,5-dimethylhexane has a molecular weight of 114.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane is sourced from PubChem (CID 11592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).