2,2-dimethylhexane

C8H18 — CID 11551

IUPAC2,2-dimethylhexane
SMILESCCCCC(C)(C)C
InChIInChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3
InChIKeyFLTJDUOFAQWHDF-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.22
Rot. Bonds2

About 2,2-dimethylhexane

2,2-dimethylhexane (PubChem CID 11551) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,2-dimethylhexane.

Molecular Properties

Compound Name2,2-dimethylhexane
PubChem CID11551
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name2,2-dimethylhexane
SMILESCCCCC(C)(C)C
InChIInChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3
InChIKeyFLTJDUOFAQWHDF-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexane?
The IUPAC name of 2,2-dimethylhexane (CID 11551) is 2,2-dimethylhexane.
What is the SMILES notation for 2,2-dimethylhexane?
The canonical SMILES for 2,2-dimethylhexane is CCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylhexane?
The InChIKey is FLTJDUOFAQWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2,2-dimethylhexane?
2,2-dimethylhexane has a molecular weight of 114.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexane is sourced from PubChem (CID 11551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).