1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane

C41H53BSi — CID 177483763

IUPAC1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane
SMILESCCCCCC(=CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53BSi/c1-11-12-15-24-38(43(41(8,9)10,36-20-16-13-17-21-36)37-22-18-14-19-23-37)29-42(39-32(4)25-30(2)26-33(39)5)40-34(6)27-31(3)28-35(40)7/h13-14,16-23,25-29H,11-12,15,24H2,1-10H3
InChIKeyNNELBYWZNAOPMX-UHFFFAOYSA-N
MW584.77 g/mol
LogP8.79
Rot. Bonds10

About 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane

1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane (PubChem CID 177483763) has the molecular formula C41H53BSi and a molecular weight of 584.77 g/mol. Its IUPAC name is 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane
PubChem CID177483763
Molecular FormulaC41H53BSi
Molecular Weight584.77 g/mol
Exact Mass584.40
IUPAC Name1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane
SMILESCCCCCC(=CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53BSi/c1-11-12-15-24-38(43(41(8,9)10,36-20-16-13-17-21-36)37-22-18-14-19-23-37)29-42(39-32(4)25-30(2)26-33(39)5)40-34(6)27-31(3)28-35(40)7/h13-14,16-23,25-29H,11-12,15,24H2,1-10H3
InChIKeyNNELBYWZNAOPMX-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.77
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
[(E)-dodec-6-en-6-yl]-dimethyl-phenylsilane
CID 13481056
[(3Z)-dodeca-1,3-dien-4-yl]-dimethyl-phenylsilane
CID 101095442
(E)-4-[dimethyl(phenyl)silyl]dec-3-en-2-ol
CID 10779898
dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
CID 135057520
(E)-1-[tert-butyl(diphenyl)silyl]oct-1-en-3-ol
CID 101387251
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
[(E)-2-[4-[(E)-2-bis(2,4,6-trimethylphenyl)boranylethenyl]phenyl]ethenyl]-bis(2,4,6-trimethylphenyl)borane
CID 101364649

Frequently Asked Questions

What is the IUPAC name of 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane?
The IUPAC name of 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane (CID 177483763) is 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane.
What is the SMILES notation for 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane?
The canonical SMILES for 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane is CCCCCC(=CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane?
The InChIKey is NNELBYWZNAOPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53BSi/c1-11-12-15-24-38(43(41(8,9)10,36-20-16-13-17-21-36)37-22-18-14-19-23-37)29-42(39-32(4)25-30(2)26-33(39)5)40-34(6)27-31(3)28-35(40)7/h13-14,16-23,25-29H,11-12,15,24H2,1-10H3.
What are the key properties of 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane?
1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane has a molecular weight of 584.77 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,4,6-trimethylphenyl)boranylhept-1-en-2-yl-tert-butyl-diphenylsilane is sourced from PubChem (CID 177483763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).