2-methylhexane;3-methylhexane

C14H32 — CID 123646192

IUPAC2-methylhexane;3-methylhexane
SMILESCCCC(C)CC.CCCCC(C)C
InChIInChI=1S/2C7H16/c1-4-5-6-7(2)3;1-4-6-7(3)5-2/h2*7H,4-6H2,1-3H3
InChIKeyWIYGJFPCTYPFLX-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds6

About 2-methylhexane;3-methylhexane

2-methylhexane;3-methylhexane (PubChem CID 123646192) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 2-methylhexane;3-methylhexane.

Molecular Properties

Compound Name2-methylhexane;3-methylhexane
PubChem CID123646192
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name2-methylhexane;3-methylhexane
SMILESCCCC(C)CC.CCCCC(C)C
InChIInChI=1S/2C7H16/c1-4-5-6-7(2)3;1-4-6-7(3)5-2/h2*7H,4-6H2,1-3H3
InChIKeyWIYGJFPCTYPFLX-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

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Related Compounds

3-methylheptane;2-methylpentane
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2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
3-methylhexane;3-methylpentane;pentane
CID 158601477
methane;2-methylbutane;2-methylhexane
CID 167665387
3-methylheptane;nickel
CID 158967838
2-methyloctane;4-methyloctane;nonane
CID 160563952
2-methylhexane;propane
CID 143695748
2-methylhexane;hydrochloride
CID 172797630
2-methylhexane;dihydrate
CID 155319003
3,3-dimethylpentane;heptane;bis(hexane);2-methylheptane;3-methylheptane;3-methylhexane;3-methylpentane
CID 161470196
cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
CID 174511255
(3R,6S)-3,6-dimethyldecane
CID 170848353

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane;3-methylhexane?
The IUPAC name of 2-methylhexane;3-methylhexane (CID 123646192) is 2-methylhexane;3-methylhexane.
What is the SMILES notation for 2-methylhexane;3-methylhexane?
The canonical SMILES for 2-methylhexane;3-methylhexane is CCCC(C)CC.CCCCC(C)C.
What is the InChIKey of 2-methylhexane;3-methylhexane?
The InChIKey is WIYGJFPCTYPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16/c1-4-5-6-7(2)3;1-4-6-7(3)5-2/h2*7H,4-6H2,1-3H3.
What are the key properties of 2-methylhexane;3-methylhexane?
2-methylhexane;3-methylhexane 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-methylhexane;3-methylhexane is sourced from PubChem (CID 123646192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).