butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane

C31H70 — CID 143347654

IUPACbutane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane
SMILESC.CC.CC.CC.CC(C)C.CCC.CCCC.CCc1c(C)cc(C)c(CC)c1C
InChIInChI=1S/C13H20.2C4H10.C3H8.3C2H6.CH4/c1-6-12-9(3)8-10(4)13(7-2)11(12)5;1-4(2)3;1-3-4-2;1-3-2;3*1-2;/h8H,6-7H2,1-5H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;3*1-2H3;1H4
InChIKeyUIOBHJFVAUAHBS-UHFFFAOYSA-N
MW442.90 g/mol
LogP12.34
Rot. Bonds3

About butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane

butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane (PubChem CID 143347654) has the molecular formula C31H70 and a molecular weight of 442.90 g/mol. Its IUPAC name is butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane.

Molecular Properties

Compound Namebutane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane
PubChem CID143347654
Molecular FormulaC31H70
Molecular Weight442.90 g/mol
Exact Mass442.55
IUPAC Namebutane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane
SMILESC.CC.CC.CC.CC(C)C.CCC.CCCC.CCc1c(C)cc(C)c(CC)c1C
InChIInChI=1S/C13H20.2C4H10.C3H8.3C2H6.CH4/c1-6-12-9(3)8-10(4)13(7-2)11(12)5;1-4(2)3;1-3-4-2;1-3-2;3*1-2;/h8H,6-7H2,1-5H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;3*1-2H3;1H4
InChIKeyUIOBHJFVAUAHBS-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 167475137
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CID 10886529
ethane;ethene;methane;2-methylpropane;propane
CID 159536965
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CID 91269426
ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
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CID 160516837
butane;ethane;2-methylbutane;1,2,3,4,5-pentamethylbenzene;propanoic acid
CID 143834150
ethane;2-methylpropane;propane
CID 144940074
4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
CID 153413929
butane;ethane;propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;bis(1,2-xylene)
CID 157062114
2-ethyl-3,5-dimethylbicyclo[4.1.0]hepta-1,3,5-trien-7-one
CID 141075243
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639

Frequently Asked Questions

What is the IUPAC name of butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane?
The IUPAC name of butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane (CID 143347654) is butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane.
What is the SMILES notation for butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane?
The canonical SMILES for butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane is C.CC.CC.CC.CC(C)C.CCC.CCCC.CCc1c(C)cc(C)c(CC)c1C.
What is the InChIKey of butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane?
The InChIKey is UIOBHJFVAUAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.2C4H10.C3H8.3C2H6.CH4/c1-6-12-9(3)8-10(4)13(7-2)11(12)5;1-4(2)3;1-3-4-2;1-3-2;3*1-2;/h8H,6-7H2,1-5H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;3*1-2H3;1H4.
What are the key properties of butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane?
butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane has a molecular weight of 442.90 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,4-diethyl-1,3,5-trimethylbenzene;ethane;methane;2-methylpropane;propane is sourced from PubChem (CID 143347654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).