butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene

C30H54 — CID 145219671

IUPACbutane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene
SMILESCC.CC.CC.CCCC.CCCCC(C)c1ccc(C)c(-c2ccccc2C)c1
InChIInChI=1S/C20H26.C4H10.3C2H6/c1-5-6-9-15(2)18-13-12-17(4)20(14-18)19-11-8-7-10-16(19)3;1-3-4-2;3*1-2/h7-8,10-15H,5-6,9H2,1-4H3;3-4H2,1-2H3;3*1-2H3
InChIKeyWCCXRDAUIUDRKD-UHFFFAOYSA-N
MW414.76 g/mol
LogP11.15
Rot. Bonds6

About butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene

butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene (PubChem CID 145219671) has the molecular formula C30H54 and a molecular weight of 414.76 g/mol. Its IUPAC name is butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Namebutane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene
PubChem CID145219671
Molecular FormulaC30H54
Molecular Weight414.76 g/mol
Exact Mass414.42
IUPAC Namebutane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene
SMILESCC.CC.CC.CCCC.CCCCC(C)c1ccc(C)c(-c2ccccc2C)c1
InChIInChI=1S/C20H26.C4H10.3C2H6/c1-5-6-9-15(2)18-13-12-17(4)20(14-18)19-11-8-7-10-16(19)3;1-3-4-2;3*1-2/h7-8,10-15H,5-6,9H2,1-4H3;3-4H2,1-2H3;3*1-2H3
InChIKeyWCCXRDAUIUDRKD-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
4-hexan-2-ylphenol
CID 12579179
2-methyl-5-pentan-2-ylphenol
CID 130033342
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
3-[4-chloro-3-(2-methylphenyl)phenyl]butanoic acid
CID 82543323
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966

Frequently Asked Questions

What is the IUPAC name of butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene (CID 145219671) is butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene is CC.CC.CC.CCCC.CCCCC(C)c1ccc(C)c(-c2ccccc2C)c1.
What is the InChIKey of butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is WCCXRDAUIUDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C4H10.3C2H6/c1-5-6-9-15(2)18-13-12-17(4)20(14-18)19-11-8-7-10-16(19)3;1-3-4-2;3*1-2/h7-8,10-15H,5-6,9H2,1-4H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene?
butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 414.76 g/mol, XLogP of 11.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;4-hexan-2-yl-1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 145219671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).