2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane

C49H51BO5Si — CID 134903833

IUPAC2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)B1O[C@@H](C(OC)(c2ccccc2)c2ccccc2)[C@H](C(OC)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C49H51BO5Si/c1-38(37-53-56(47(2,3)4,43-33-21-11-22-34-43)44-35-23-12-24-36-44)50-54-45(48(51-5,39-25-13-7-14-26-39)40-27-15-8-16-28-40)46(55-50)49(52-6,41-29-17-9-18-30-41)42-31-19-10-20-32-42/h7-36,45-46H,1,37H2,2-6H3/t45-,46-/m1/s1
InChIKeyNJFPTGBZOHVWQI-AWSIMMLFSA-N
MW758.84 g/mol
LogP9.11
Rot. Bonds14

About 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane

2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane (PubChem CID 134903833) has the molecular formula C49H51BO5Si and a molecular weight of 758.84 g/mol. Its IUPAC name is 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane
PubChem CID134903833
Molecular FormulaC49H51BO5Si
Molecular Weight758.84 g/mol
Exact Mass758.36
IUPAC Name2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)B1O[C@@H](C(OC)(c2ccccc2)c2ccccc2)[C@H](C(OC)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C49H51BO5Si/c1-38(37-53-56(47(2,3)4,43-33-21-11-22-34-43)44-35-23-12-24-36-44)50-54-45(48(51-5,39-25-13-7-14-26-39)40-27-15-8-16-28-40)46(55-50)49(52-6,41-29-17-9-18-30-41)42-31-19-10-20-32-42/h7-36,45-46H,1,37H2,2-6H3/t45-,46-/m1/s1
InChIKeyNJFPTGBZOHVWQI-AWSIMMLFSA-N
XLogP9.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.84
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 134903834
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425
[(1S,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methoxy-tert-butyl-dimethylsilane
CID 10651828
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane (CID 134903833) is 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)B1O[C@@H](C(OC)(c2ccccc2)c2ccccc2)[C@H](C(OC)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane?
The InChIKey is NJFPTGBZOHVWQI-AWSIMMLFSA-N. The full InChI is InChI=1S/C49H51BO5Si/c1-38(37-53-56(47(2,3)4,43-33-21-11-22-34-43)44-35-23-12-24-36-44)50-54-45(48(51-5,39-25-13-7-14-26-39)40-27-15-8-16-28-40)46(55-50)49(52-6,41-29-17-9-18-30-41)42-31-19-10-20-32-42/h7-36,45-46H,1,37H2,2-6H3/t45-,46-/m1/s1.
What are the key properties of 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane?
2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane has a molecular weight of 758.84 g/mol, XLogP of 9.11, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134903833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).