dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

C23H33BO3Si — CID 132573976

IUPACdimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC1(C)OB(C(CCO[Si](C)(C)c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(19-13-9-7-10-14-19)17-18-25-28(5,6)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyQPNJVRQFNJATEG-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.92
Rot. Bonds7

About dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (PubChem CID 132573976) has the molecular formula C23H33BO3Si and a molecular weight of 396.41 g/mol. Its IUPAC name is dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
PubChem CID132573976
Molecular FormulaC23H33BO3Si
Molecular Weight396.41 g/mol
Exact Mass396.23
IUPAC Namedimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC1(C)OB(C(CCO[Si](C)(C)c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(19-13-9-7-10-14-19)17-18-25-28(5,6)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyQPNJVRQFNJATEG-UHFFFAOYSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
CID 101455172
tert-butyl-[(3S)-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]-diphenylsilane
CID 154585580
(1S)-4-methyl-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-one
CID 102279434
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154719088
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595
methyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl] carbonate
CID 162539856
4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
CID 102508609
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
2-(4-methoxyphenyl)ethoxy-dimethyl-phenylsilane
CID 56837524
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanium
CID 168920040

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The IUPAC name of dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (CID 132573976) is dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.
What is the SMILES notation for dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The canonical SMILES for dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is CC1(C)OB(C(CCO[Si](C)(C)c2ccccc2)c2ccccc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The InChIKey is QPNJVRQFNJATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33BO3Si/c1-22(2)23(3,4)27-24(26-22)21(19-13-9-7-10-14-19)17-18-25-28(5,6)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3.
What are the key properties of dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane has a molecular weight of 396.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is sourced from PubChem (CID 132573976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).