argon;butane;ethane;methane;2-methylbutane;propane

C45H132Ar21 — CID 157426988

IUPACargon;butane;ethane;methane;2-methylbutane;propane
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC(C)C.CCCC.CCCC.CCCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C5H12.3C4H10.3C3H8.5C2H6.9CH4.21Ar/c1-4-5(2)3;3*1-3-4-2;3*1-3-2;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;3*3H2,1-2H3;5*1-2H3;9*1H4;;;;;;;;;;;;;;;;;;;;;
InChIKeyBQBNVYVYDMCFCU-UHFFFAOYSA-N
MW1512.46 g/mol
LogP22.58
Rot. Bonds4

About argon;butane;ethane;methane;2-methylbutane;propane

argon;butane;ethane;methane;2-methylbutane;propane (PubChem CID 157426988) has the molecular formula C45H132Ar21 and a molecular weight of 1512.46 g/mol. Its IUPAC name is argon;butane;ethane;methane;2-methylbutane;propane.

Molecular Properties

Compound Nameargon;butane;ethane;methane;2-methylbutane;propane
PubChem CID157426988
Molecular FormulaC45H132Ar21
Molecular Weight1512.46 g/mol
Exact Mass1512.24
IUPAC Nameargon;butane;ethane;methane;2-methylbutane;propane
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC(C)C.CCCC.CCCC.CCCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C5H12.3C4H10.3C3H8.5C2H6.9CH4.21Ar/c1-4-5(2)3;3*1-3-4-2;3*1-3-2;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;3*3H2,1-2H3;5*1-2H3;9*1H4;;;;;;;;;;;;;;;;;;;;;
InChIKeyBQBNVYVYDMCFCU-UHFFFAOYSA-N
XLogP22.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001512.46
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of argon;butane;ethane;methane;2-methylbutane;propane?
The IUPAC name of argon;butane;ethane;methane;2-methylbutane;propane (CID 157426988) is argon;butane;ethane;methane;2-methylbutane;propane.
What is the SMILES notation for argon;butane;ethane;methane;2-methylbutane;propane?
The canonical SMILES for argon;butane;ethane;methane;2-methylbutane;propane is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC(C)C.CCCC.CCCC.CCCC.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;butane;ethane;methane;2-methylbutane;propane?
The InChIKey is BQBNVYVYDMCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3C4H10.3C3H8.5C2H6.9CH4.21Ar/c1-4-5(2)3;3*1-3-4-2;3*1-3-2;5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;3*3H2,1-2H3;5*1-2H3;9*1H4;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of argon;butane;ethane;methane;2-methylbutane;propane?
argon;butane;ethane;methane;2-methylbutane;propane has a molecular weight of 1512.46 g/mol, XLogP of 22.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for argon;butane;ethane;methane;2-methylbutane;propane is sourced from PubChem (CID 157426988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).