3-methylheptane;2-methylpentane

C14H32 — CID 165405793

IUPAC3-methylheptane;2-methylpentane
SMILESCCCC(C)C.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H14/c1-4-6-7-8(3)5-2;1-4-5-6(2)3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyPAOFJCQFOJGWOS-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds6

About 3-methylheptane;2-methylpentane

3-methylheptane;2-methylpentane (PubChem CID 165405793) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 3-methylheptane;2-methylpentane.

Molecular Properties

Compound Name3-methylheptane;2-methylpentane
PubChem CID165405793
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name3-methylheptane;2-methylpentane
SMILESCCCC(C)C.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H14/c1-4-6-7-8(3)5-2;1-4-5-6(2)3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyPAOFJCQFOJGWOS-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

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3-methylheptane;nickel
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2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
3-methylheptane;octane
CID 144782281
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
4-ethylheptane;3-methylheptane
CID 143099611
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
3-methylheptane;oxotitanium
CID 174602327
3,11-dimethylpentadecane
CID 58340720
3-methyl-7-propylundecane
CID 123449834
hexane;2-methylpentane
CID 19835603

Frequently Asked Questions

What is the IUPAC name of 3-methylheptane;2-methylpentane?
The IUPAC name of 3-methylheptane;2-methylpentane (CID 165405793) is 3-methylheptane;2-methylpentane.
What is the SMILES notation for 3-methylheptane;2-methylpentane?
The canonical SMILES for 3-methylheptane;2-methylpentane is CCCC(C)C.CCCCC(C)CC.
What is the InChIKey of 3-methylheptane;2-methylpentane?
The InChIKey is PAOFJCQFOJGWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14/c1-4-6-7-8(3)5-2;1-4-5-6(2)3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3-methylheptane;2-methylpentane?
3-methylheptane;2-methylpentane 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 3-methylheptane;2-methylpentane is sourced from PubChem (CID 165405793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).