2-methylbutane

C5H12 — CID 6556

IUPAC2-methylbutane
SMILESCCC(C)C
InChIInChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
InChIKeyQWTDNUCVQCZILF-UHFFFAOYSA-N
MW72.15 g/mol
LogP2.05
Rot. Bonds1

About 2-methylbutane

2-methylbutane (PubChem CID 6556) has the molecular formula C5H12 and a molecular weight of 72.15 g/mol. Its IUPAC name is 2-methylbutane.

Molecular Properties

Compound Name2-methylbutane
PubChem CID6556
Molecular FormulaC5H12
Molecular Weight72.15 g/mol
Exact Mass72.09
IUPAC Name2-methylbutane
SMILESCCC(C)C
InChIInChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
InChIKeyQWTDNUCVQCZILF-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methylpentane
CID 7892
Isobutane
CID 6360
2,3-Dimethylbutane
CID 6589
3-Methylpentane
CID 7282
1-Fluoro-3-methylbutane
CID 23510607
1,1,1,2,3,3,3-Heptadeuterio-2-(trideuteriomethyl)propane
CID 10558567
3-Methylbutylzinc bromide solution
CID 4414674
Isopentylmagnesium bromide
CID 10942975
(+)-2-Methylbutylmagnesium chloride
CID 12489649
1-Fluoro-2-methylbutane
CID 23510650
Pentane-1,1,1,2,2,3,3,4,5,5,5-d11, 4-(methyl-d3)-
CID 16213381
Isobutyl radical
CID 138305

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane?
The IUPAC name of 2-methylbutane (CID 6556) is 2-methylbutane.
What is the SMILES notation for 2-methylbutane?
The canonical SMILES for 2-methylbutane is CCC(C)C.
What is the InChIKey of 2-methylbutane?
The InChIKey is QWTDNUCVQCZILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-methylbutane?
2-methylbutane has a molecular weight of 72.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane is sourced from PubChem (CID 6556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).