2,4-dimethylhexane;hexane

C14H32 — CID 174686373

IUPAC2,4-dimethylhexane;hexane
SMILESCCC(C)CC(C)C.CCCCCC
InChIInChI=1S/C8H18.C6H14/c1-5-8(4)6-7(2)3;1-3-5-6-4-2/h7-8H,5-6H2,1-4H3;3-6H2,1-2H3
InChIKeyQFTIBNSHNMGBAB-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds6

About 2,4-dimethylhexane;hexane

2,4-dimethylhexane;hexane (PubChem CID 174686373) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 2,4-dimethylhexane;hexane.

Molecular Properties

Compound Name2,4-dimethylhexane;hexane
PubChem CID174686373
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name2,4-dimethylhexane;hexane
SMILESCCC(C)CC(C)C.CCCCCC
InChIInChI=1S/C8H18.C6H14/c1-5-8(4)6-7(2)3;1-3-5-6-4-2/h7-8H,5-6H2,1-4H3;3-6H2,1-2H3
InChIKeyQFTIBNSHNMGBAB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-2,4-dimethylhexane
CID 22810193
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
2,4,6,8-tetramethyldecane
CID 54224604
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
2,4,7,9-tetramethylundecane
CID 91346710
3,5-dimethylpentacosane
CID 86177199
2,4-dimethylpentane;ethane;heptane
CID 153392396
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
2,4,8-trimethyloctacosane
CID 91751081
2,4-dimethylpentane;pentane
CID 161023213

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexane;hexane?
The IUPAC name of 2,4-dimethylhexane;hexane (CID 174686373) is 2,4-dimethylhexane;hexane.
What is the SMILES notation for 2,4-dimethylhexane;hexane?
The canonical SMILES for 2,4-dimethylhexane;hexane is CCC(C)CC(C)C.CCCCCC.
What is the InChIKey of 2,4-dimethylhexane;hexane?
The InChIKey is QFTIBNSHNMGBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14/c1-5-8(4)6-7(2)3;1-3-5-6-4-2/h7-8H,5-6H2,1-4H3;3-6H2,1-2H3.
What are the key properties of 2,4-dimethylhexane;hexane?
2,4-dimethylhexane;hexane has a molecular weight of 200.41 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexane;hexane is sourced from PubChem (CID 174686373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).