butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane

C20H46 — CID 160734051

IUPACbutane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
SMILESCC(C)C.CC1CC1.CC1CCC1.CCC.CCCC
InChIInChI=1S/C5H10.C4H8.2C4H10.C3H8/c1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyRUSGSZOJSZGMFK-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.11
Rot. Bonds1

About butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane

butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane (PubChem CID 160734051) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane.

Molecular Properties

Compound Namebutane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
PubChem CID160734051
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Namebutane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
SMILESCC(C)C.CC1CC1.CC1CCC1.CCC.CCCC
InChIInChI=1S/C5H10.C4H8.2C4H10.C3H8/c1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyRUSGSZOJSZGMFK-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbutane;methylcyclobutane
CID 57473841
butane;methylcyclopentane
CID 142053859
butane;cyclopentane;cyclopropane;2-methylpropane;propane
CID 173325576
butane;methanamine;methylcyclopentane
CID 142104572
ethane;methylcyclopentane;propane
CID 142080084
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
(1R)-1,3-dimethylcyclohexane
CID 12594306
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975

Frequently Asked Questions

What is the IUPAC name of butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane?
The IUPAC name of butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane (CID 160734051) is butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane.
What is the SMILES notation for butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane?
The canonical SMILES for butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane is CC(C)C.CC1CC1.CC1CCC1.CCC.CCCC.
What is the InChIKey of butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane?
The InChIKey is RUSGSZOJSZGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8.2C4H10.C3H8/c1-5-3-2-4-5;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane?
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane has a molecular weight of 286.59 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane is sourced from PubChem (CID 160734051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).