2-methylbutane

C65H156 — CID 158117812

IUPAC2-methylbutane
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C
InChIInChI=1S/13C5H12/c13*1-4-5(2)3/h13*5H,4H2,1-3H3
InChIKeyFRFRAGKACROGMV-UHFFFAOYSA-N
MW937.96 g/mol
LogP26.68
Rot. Bonds13

About 2-methylbutane

2-methylbutane (PubChem CID 158117812) has the molecular formula C65H156 and a molecular weight of 937.96 g/mol. Its IUPAC name is 2-methylbutane.

Molecular Properties

Compound Name2-methylbutane
PubChem CID158117812
Molecular FormulaC65H156
Molecular Weight937.96 g/mol
Exact Mass937.22
IUPAC Name2-methylbutane
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C
InChIInChI=1S/13C5H12/c13*1-4-5(2)3/h13*5H,4H2,1-3H3
InChIKeyFRFRAGKACROGMV-UHFFFAOYSA-N
XLogP26.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.96
LogP ≤ 526.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbutane
CID 159175971
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
CID 164983427
CID 164983427
ethane;methane;2-methylbutane;propane
CID 162144061
iodosilver;2-methylbutane
CID 174297027
hydroxylamine;2-methylbutane
CID 175063986
CID 169430456
CID 169430456
ethane;ethene;2-methylbutane;propane
CID 142006499
bis(but-2-yne);ethane;2-methylbutane
CID 144516003
2-methylbutane;3-methylbutan-2-ol
CID 87553210
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane?
The IUPAC name of 2-methylbutane (CID 158117812) is 2-methylbutane.
What is the SMILES notation for 2-methylbutane?
The canonical SMILES for 2-methylbutane is CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.
What is the InChIKey of 2-methylbutane?
The InChIKey is FRFRAGKACROGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/13C5H12/c13*1-4-5(2)3/h13*5H,4H2,1-3H3.
What are the key properties of 2-methylbutane?
2-methylbutane has a molecular weight of 937.96 g/mol, XLogP of 26.68, 13 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 158117812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).