cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane

C37H41BN2Si — CID 67904044

IUPACcyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESCCCC=CC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-17,19H,2-3,18,20H2,1H3;1-10,15H,11-12H2
InChIKeyHEXULEYRPGGWPH-UHFFFAOYSA-N
MW552.65 g/mol
LogP6.50
Rot. Bonds11

About cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane

cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane (PubChem CID 67904044) has the molecular formula C37H41BN2Si and a molecular weight of 552.65 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane
PubChem CID67904044
Molecular FormulaC37H41BN2Si
Molecular Weight552.65 g/mol
Exact Mass552.31
IUPAC Namecyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESCCCC=CC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-17,19H,2-3,18,20H2,1H3;1-10,15H,11-12H2
InChIKeyHEXULEYRPGGWPH-UHFFFAOYSA-N
XLogP6.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The IUPAC name of cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane (CID 67904044) is cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The canonical SMILES for cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane is CCCC=CC[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
The InChIKey is HEXULEYRPGGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-17,19H,2-3,18,20H2,1H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane?
cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane has a molecular weight of 552.65 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane is sourced from PubChem (CID 67904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).