butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene

C64H116 — CID 159400241

IUPACbutane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H18.C15H16.4C5H12.2C4H10.C3H8.C2H6/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h5-10H,1-4H3;4-10H,1-3H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLNGBFSYSRUWGJP-UHFFFAOYSA-N
MW885.63 g/mol
LogP23.13
Rot. Bonds7

About butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene

butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene (PubChem CID 159400241) has the molecular formula C64H116 and a molecular weight of 885.63 g/mol. Its IUPAC name is butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Namebutane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene
PubChem CID159400241
Molecular FormulaC64H116
Molecular Weight885.63 g/mol
Exact Mass884.91
IUPAC Namebutane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H18.C15H16.4C5H12.2C4H10.C3H8.C2H6/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h5-10H,1-4H3;4-10H,1-3H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLNGBFSYSRUWGJP-UHFFFAOYSA-N
XLogP23.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.63
LogP ≤ 523.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene with MolForge

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Related Compounds

butane;2,2-dimethylpropane;ethane;fluoromethane;methane;bis(2-methylbutane);1-methyl-4-phenylbenzene;2-methylpropane;pentane;propane;toluene;1,1,1-trifluoroethane
CID 160610124
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);2-methylpropane;pentane;propane;toluene
CID 157406316
butane;2,2-dimethylpropane;ethane;1-ethyl-4-methylbenzene;methane;bis(2-methylbutane);2-methylpropane;1-methyl-4-propylbenzene;pentane;propane;toluene;1,4-xylene
CID 161333211
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane;toluene
CID 158721160
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
CID 123650314
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane
CID 157099675
butane;2-methylbutane;4-methylphenol
CID 155694307
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(4-iodophenyl)-1,3,5-trimethylbenzene
CID 71396711

Frequently Asked Questions

What is the IUPAC name of butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The IUPAC name of butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene (CID 159400241) is butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene.
What is the SMILES notation for butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The canonical SMILES for butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene is CC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)C.CCCC.CCCCC.Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The InChIKey is LNGBFSYSRUWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C15H16.4C5H12.2C4H10.C3H8.C2H6/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-5(2,3)4;2*1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h5-10H,1-4H3;4-10H,1-3H3;1-4H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene has a molecular weight of 885.63 g/mol, XLogP of 23.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,3-dimethyl-5-(4-methylphenyl)benzene;2,2-dimethylpropane;ethane;bis(2-methylbutane);2-methylpropane;pentane;propane;1,3,5-trimethyl-2-(4-methylphenyl)benzene is sourced from PubChem (CID 159400241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).