[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane

C27H31BSi — CID 134903758

IUPAC[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane
SMILESC=C(C)/C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)[Si](C)(C)CC
InChIInChI=1S/C27H31BSi/c1-6-29(4,5)27(22(2)3)26(23-16-10-7-11-17-23)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,2,6H2,1,3-5H3/b27-26-
InChIKeyWLRWKZXXEPJFBF-RQZHXJHFSA-N
MW394.44 g/mol
LogP6.13
Rot. Bonds7

About [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane

[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane (PubChem CID 134903758) has the molecular formula C27H31BSi and a molecular weight of 394.44 g/mol. Its IUPAC name is [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane
PubChem CID134903758
Molecular FormulaC27H31BSi
Molecular Weight394.44 g/mol
Exact Mass394.23
IUPAC Name[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane
SMILESC=C(C)/C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)[Si](C)(C)CC
InChIInChI=1S/C27H31BSi/c1-6-29(4,5)27(22(2)3)26(23-16-10-7-11-17-23)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,2,6H2,1,3-5H3/b27-26-
InChIKeyWLRWKZXXEPJFBF-RQZHXJHFSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-diphenylboranyl-N,N-dimethyl-2,3-diphenylprop-2-en-1-amine
CID 70793239
[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane
CID 173478367
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
(1E)-3-methyl-1-phenyl-2-(sulfanylmethyl)buta-1,3-dien-1-ol
CID 177018795
[(E)-3-bis(4-phenylphenyl)boranyl-2-methyl-3-(4-phenylphenyl)prop-2-enyl]-dimethylphosphane
CID 70849123
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
hydroxy-dimethyl-(1-phenylethenyl)silane
CID 15263620
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
ethane;methane;3-methylbut-3-en-2-one;1-phenylpropan-1-one
CID 161480894

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane?
The IUPAC name of [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane (CID 134903758) is [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane.
What is the SMILES notation for [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane?
The canonical SMILES for [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane is C=C(C)/C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)[Si](C)(C)CC.
What is the InChIKey of [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane?
The InChIKey is WLRWKZXXEPJFBF-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H31BSi/c1-6-29(4,5)27(22(2)3)26(23-16-10-7-11-17-23)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,2,6H2,1,3-5H3/b27-26-.
What are the key properties of [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane?
[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane has a molecular weight of 394.44 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane is sourced from PubChem (CID 134903758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).