2-methylbutane;propane

C8H20 — CID 91522979

IUPAC2-methylbutane;propane
SMILESCCC.CCC(C)C
InChIInChI=1S/C5H12.C3H8/c1-4-5(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyFOLREJCGDZQHJL-UHFFFAOYSA-N
MW116.25 g/mol
LogP3.47
Rot. Bonds1

About 2-methylbutane;propane

2-methylbutane;propane (PubChem CID 91522979) has the molecular formula C8H20 and a molecular weight of 116.25 g/mol. Its IUPAC name is 2-methylbutane;propane.

Molecular Properties

Compound Name2-methylbutane;propane
PubChem CID91522979
Molecular FormulaC8H20
Molecular Weight116.25 g/mol
Exact Mass116.16
IUPAC Name2-methylbutane;propane
SMILESCCC.CCC(C)C
InChIInChI=1S/C5H12.C3H8/c1-4-5(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyFOLREJCGDZQHJL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;propane?
The IUPAC name of 2-methylbutane;propane (CID 91522979) is 2-methylbutane;propane.
What is the SMILES notation for 2-methylbutane;propane?
The canonical SMILES for 2-methylbutane;propane is CCC.CCC(C)C.
What is the InChIKey of 2-methylbutane;propane?
The InChIKey is FOLREJCGDZQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8/c1-4-5(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-methylbutane;propane?
2-methylbutane;propane has a molecular weight of 116.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;propane is sourced from PubChem (CID 91522979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).