3,3-dimethylhexane

C8H18 — CID 11233

IUPAC3,3-dimethylhexane
SMILESCCCC(C)(C)CC
InChIInChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChIKeyKUMXLFIBWFCMOJ-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.22
Rot. Bonds3

About 3,3-dimethylhexane

3,3-dimethylhexane (PubChem CID 11233) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 3,3-dimethylhexane.

Molecular Properties

Compound Name3,3-dimethylhexane
PubChem CID11233
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name3,3-dimethylhexane
SMILESCCCC(C)(C)CC
InChIInChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChIKeyKUMXLFIBWFCMOJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123373948
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
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CID 20661116
3,3,19,19-tetramethylhenicosane
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3,3-dimethylpentadecane
CID 86034940
3,3-dimethyloctane;ethane
CID 145013248
3,3-dimethyldodecane
CID 15930786
3,3-dimethylhexane;1-methylpyrrole-2,5-dione
CID 142903150
2-(2,2-dimethylbutyl)-3-(2,2-dimethylpentyl)oxirane
CID 123952297
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhexane?
The IUPAC name of 3,3-dimethylhexane (CID 11233) is 3,3-dimethylhexane.
What is the SMILES notation for 3,3-dimethylhexane?
The canonical SMILES for 3,3-dimethylhexane is CCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylhexane?
The InChIKey is KUMXLFIBWFCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3.
What are the key properties of 3,3-dimethylhexane?
3,3-dimethylhexane has a molecular weight of 114.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhexane is sourced from PubChem (CID 11233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).