1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane

C62H96O3Si — CID 158896780

IUPAC1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
SMILESCC(C)C(C)c1ccc([Si](C)(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1cccc(C(CO)C(C)C)c1
InChIInChI=1S/C14H24Si.3C12H18O.C12H18/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-9(2)11(4)12-7-5-10(3)6-8-12/h7-12H,1-6H3;3*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3
InChIKeyJEXVSFDROKDPIX-UHFFFAOYSA-N
MW917.53 g/mol
LogP15.93
Rot. Bonds14

About 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane

1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane (PubChem CID 158896780) has the molecular formula C62H96O3Si and a molecular weight of 917.53 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
PubChem CID158896780
Molecular FormulaC62H96O3Si
Molecular Weight917.53 g/mol
Exact Mass916.71
IUPAC Name1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
SMILESCC(C)C(C)c1ccc([Si](C)(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1cccc(C(CO)C(C)C)c1
InChIInChI=1S/C14H24Si.3C12H18O.C12H18/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-9(2)11(4)12-7-5-10(3)6-8-12/h7-12H,1-6H3;3*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3
InChIKeyJEXVSFDROKDPIX-UHFFFAOYSA-N
XLogP15.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.53
LogP ≤ 515.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(4-methylphenyl)butan-1-ol;3-methyl-2-[3-(pentafluoro-λ6-sulfanyl)oxyphenyl]butan-1-ol;pentafluoro-[3-methyl-2-(4-methylphenyl)butoxy]-λ6-sulfane
CID 160557119
trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 59591230
1-(1-bromo-3-methylbutan-2-yl)-3-methylbenzene
CID 79019345
2-(3-methylphenyl)propan-1-ol
CID 21478686
1,3-difluoro-2-methyl-5-(3-methylbutan-2-yl)benzene;3-methylbutan-2-ylbenzene;1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(4-methylphenyl)butan-1-ol;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-methyl-2-(3,4,5-trifluorophenyl)butan-1-ol
CID 160782484
(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol
CID 10881709
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
4-methyl-3-(3-methylphenyl)pentanenitrile
CID 83684447
2,4-bis(3-methylphenyl)butane-1,3-diol
CID 67076649
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
3-(3-methylphenyl)pentan-2-ol
CID 130543430

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane (CID 158896780) is 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane.
What is the SMILES notation for 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The canonical SMILES for 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane is CC(C)C(C)c1ccc([Si](C)(C)C)cc1.Cc1ccc(C(C)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1ccc(C(CO)C(C)C)cc1.Cc1cccc(C(CO)C(C)C)c1.
What is the InChIKey of 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
The InChIKey is JEXVSFDROKDPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Si.3C12H18O.C12H18/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6;2*1-9(2)12(8-13)11-6-4-10(3)5-7-11;1-9(2)12(8-13)11-6-4-5-10(3)7-11;1-9(2)11(4)12-7-5-10(3)6-8-12/h7-12H,1-6H3;3*4-7,9,12-13H,8H2,1-3H3;5-9,11H,1-4H3.
What are the key properties of 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane?
1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane has a molecular weight of 917.53 g/mol, XLogP of 15.93, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutan-2-yl)benzene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane is sourced from PubChem (CID 158896780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).