2,4-dimethylpentane

C42H96 — CID 157050020

IUPAC2,4-dimethylpentane
SMILESCC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C
InChIInChI=1S/6C7H16/c6*1-6(2)5-7(3)4/h6*6-7H,5H2,1-4H3
InChIKeyAABXUNMXXJGFCD-UHFFFAOYSA-N
MW601.23 g/mol
LogP16.13
Rot. Bonds12

About 2,4-dimethylpentane

2,4-dimethylpentane (PubChem CID 157050020) has the molecular formula C42H96 and a molecular weight of 601.23 g/mol. Its IUPAC name is 2,4-dimethylpentane.

Molecular Properties

Compound Name2,4-dimethylpentane
PubChem CID157050020
Molecular FormulaC42H96
Molecular Weight601.23 g/mol
Exact Mass600.75
IUPAC Name2,4-dimethylpentane
SMILESCC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C
InChIInChI=1S/6C7H16/c6*1-6(2)5-7(3)4/h6*6-7H,5H2,1-4H3
InChIKeyAABXUNMXXJGFCD-UHFFFAOYSA-N
XLogP16.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.23
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethylpentane;methane
CID 159476318
acetylene;2,4-dimethylpentane
CID 167651238
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
2,4-dimethylpentane;pentane
CID 161023213
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,4-dimethylpentane;ethane;heptane
CID 153392396
2,3,5-trimethylhexane-1-thiol
CID 56980634
acetylene;2,4,6-trimethylheptane
CID 144531255
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
propane;2,4,6-trimethylheptane
CID 165013878

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane?
The IUPAC name of 2,4-dimethylpentane (CID 157050020) is 2,4-dimethylpentane.
What is the SMILES notation for 2,4-dimethylpentane?
The canonical SMILES for 2,4-dimethylpentane is CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.
What is the InChIKey of 2,4-dimethylpentane?
The InChIKey is AABXUNMXXJGFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H16/c6*1-6(2)5-7(3)4/h6*6-7H,5H2,1-4H3.
What are the key properties of 2,4-dimethylpentane?
2,4-dimethylpentane has a molecular weight of 601.23 g/mol, XLogP of 16.13, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane is sourced from PubChem (CID 157050020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).