ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane

C36H39BN2Si — CID 67903971

IUPACethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESC=CB(c1ccccc1)c1ccccc1.CC=CCCC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C14H13B/c1-2-3-4-11-18-25(20-24-17-16-23-19-24,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-10,12-17,19H,4,11,18,20H2,1H3;2-12H,1H2
InChIKeyWGHLQPHATHJKBL-UHFFFAOYSA-N
MW538.62 g/mol
LogP6.06
Rot. Bonds11

About ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane

ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane (PubChem CID 67903971) has the molecular formula C36H39BN2Si and a molecular weight of 538.62 g/mol. Its IUPAC name is ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane.

Molecular Properties

Compound Nameethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane
PubChem CID67903971
Molecular FormulaC36H39BN2Si
Molecular Weight538.62 g/mol
Exact Mass538.30
IUPAC Nameethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESC=CB(c1ccccc1)c1ccccc1.CC=CCCC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C14H13B/c1-2-3-4-11-18-25(20-24-17-16-23-19-24,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-10,12-17,19H,4,11,18,20H2,1H3;2-12H,1H2
InChIKeyWGHLQPHATHJKBL-UHFFFAOYSA-N
XLogP6.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904140
cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane
CID 67904024
imidazol-1-ylmethyl-diphenyl-prop-1-enylsilane
CID 67903861
cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904044
imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane
CID 67904105
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
CID 67903777
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
CID 173368184
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane
CID 67904027
1-[(Z)-but-2-enyl]imidazole
CID 45087139
ethenyl-(imidazol-1-ylmethyl)-methyl-(1-phenylethenyl)silane
CID 117064117
cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904530
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983

Frequently Asked Questions

What is the IUPAC name of ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The IUPAC name of ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane (CID 67903971) is ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane.
What is the SMILES notation for ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The canonical SMILES for ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane is C=CB(c1ccccc1)c1ccccc1.CC=CCCC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The InChIKey is WGHLQPHATHJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C14H13B/c1-2-3-4-11-18-25(20-24-17-16-23-19-24,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-10,12-17,19H,4,11,18,20H2,1H3;2-12H,1H2.
What are the key properties of ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane has a molecular weight of 538.62 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane is sourced from PubChem (CID 67903971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).