2-methylbutane;2-methylpropane

C9H22 — CID 18314789

IUPAC2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C
InChIInChI=1S/C5H12.C4H10/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyATSNSAHSNVOILC-UHFFFAOYSA-N
MW130.27 g/mol
LogP3.71
Rot. Bonds1

About 2-methylbutane;2-methylpropane

2-methylbutane;2-methylpropane (PubChem CID 18314789) has the molecular formula C9H22 and a molecular weight of 130.27 g/mol. Its IUPAC name is 2-methylbutane;2-methylpropane.

Molecular Properties

Compound Name2-methylbutane;2-methylpropane
PubChem CID18314789
Molecular FormulaC9H22
Molecular Weight130.27 g/mol
Exact Mass130.17
IUPAC Name2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C
InChIInChI=1S/C5H12.C4H10/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyATSNSAHSNVOILC-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;2-methylpropane?
The IUPAC name of 2-methylbutane;2-methylpropane (CID 18314789) is 2-methylbutane;2-methylpropane.
What is the SMILES notation for 2-methylbutane;2-methylpropane?
The canonical SMILES for 2-methylbutane;2-methylpropane is CC(C)C.CCC(C)C.
What is the InChIKey of 2-methylbutane;2-methylpropane?
The InChIKey is ATSNSAHSNVOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 2-methylbutane;2-methylpropane?
2-methylbutane;2-methylpropane has a molecular weight of 130.27 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;2-methylpropane is sourced from PubChem (CID 18314789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).