2,3-dimethylhexane

C8H18 — CID 11447

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

About 2,3-dimethylhexane

2,3-dimethylhexane (PubChem CID 11447) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,3-dimethylhexane.

Molecular Properties

Compound Name2,3-dimethylhexane
PubChem CID11447
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name2,3-dimethylhexane
SMILESCCCC(C)C(C)C
InChIInChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyJXPOLSKBTUYKJB-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 2,3-dimethylhexane?
The IUPAC name of 2,3-dimethylhexane (CID 11447) is 2,3-dimethylhexane.
What is the SMILES notation for 2,3-dimethylhexane?
The canonical SMILES for 2,3-dimethylhexane is CCCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylhexane?
The InChIKey is JXPOLSKBTUYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethylhexane?
2,3-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 2,3-dimethylhexane is sourced from PubChem (CID 11447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).