2,4-dimethylhexane;propane

C11H26 — CID 143348383

IUPAC2,4-dimethylhexane;propane
SMILESCCC.CCC(C)CC(C)C
InChIInChI=1S/C8H18.C3H8/c1-5-8(4)6-7(2)3;1-3-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyWBURKKKJMIPLTK-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.49
Rot. Bonds3

About 2,4-dimethylhexane;propane

2,4-dimethylhexane;propane (PubChem CID 143348383) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is 2,4-dimethylhexane;propane.

Molecular Properties

Compound Name2,4-dimethylhexane;propane
PubChem CID143348383
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Name2,4-dimethylhexane;propane
SMILESCCC.CCC(C)CC(C)C
InChIInChI=1S/C8H18.C3H8/c1-5-8(4)6-7(2)3;1-3-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyWBURKKKJMIPLTK-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-2,4-dimethylhexane
CID 22810193
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4,6,8-tetramethyldecane
CID 54224604
propane;2,4,6-trimethylheptane
CID 165013878
2,4,7,9-tetramethylundecane
CID 91346710
2,4-dimethylhexane;hexane
CID 174686373
3,5-dimethylheptane;ethane
CID 172617343
3-methylpentane;propane
CID 123266773
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(5S)-3-ethyl-5-methylheptane
CID 59094044

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexane;propane?
The IUPAC name of 2,4-dimethylhexane;propane (CID 143348383) is 2,4-dimethylhexane;propane.
What is the SMILES notation for 2,4-dimethylhexane;propane?
The canonical SMILES for 2,4-dimethylhexane;propane is CCC.CCC(C)CC(C)C.
What is the InChIKey of 2,4-dimethylhexane;propane?
The InChIKey is WBURKKKJMIPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H8/c1-5-8(4)6-7(2)3;1-3-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,4-dimethylhexane;propane?
2,4-dimethylhexane;propane has a molecular weight of 158.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexane;propane is sourced from PubChem (CID 143348383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).