deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

C23H33BO2Si — CID 166636950

IUPACdeuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILES[2H][Si](CCCB1OC(C)(C)C(C)(C)O1)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H33BO2Si/c1-22(2)23(3,4)26-24(25-22)17-11-18-27(21-14-9-6-10-15-21)19-16-20-12-7-5-8-13-20/h5-10,12-15,27H,11,16-19H2,1-4H3/i27D
InChIKeyRSPXZFWZUKMBIL-BPVCDHNKSA-N
MW381.42 g/mol
LogP4.85
Rot. Bonds8

About deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (PubChem CID 166636950) has the molecular formula C23H33BO2Si and a molecular weight of 381.42 g/mol. Its IUPAC name is deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.

Molecular Properties

Compound Namedeuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
PubChem CID166636950
Molecular FormulaC23H33BO2Si
Molecular Weight381.42 g/mol
Exact Mass381.24
IUPAC Namedeuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILES[2H][Si](CCCB1OC(C)(C)C(C)(C)O1)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H33BO2Si/c1-22(2)23(3,4)26-24(25-22)17-11-18-27(21-14-9-6-10-15-21)19-16-20-12-7-5-8-13-20/h5-10,12-15,27H,11,16-19H2,1-4H3/i27D
InChIKeyRSPXZFWZUKMBIL-BPVCDHNKSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanium
CID 168920040
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
4-phenylbutylbenzene
CID 141301927
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
4,4,5,5-tetramethyl-2-(5-phenylpent-1-ynyl)-1,3,2-dioxaborolane
CID 135048637
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-[2-(3-bromophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122371474
methyl-phenyl-(2-phenylethyl)silane
CID 4205542
2-[2,4-dimethyl-2-(2-phenylethyl)pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162415560
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]benzohydrazide
CID 141421463

Frequently Asked Questions

What is the IUPAC name of deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The IUPAC name of deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (CID 166636950) is deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.
What is the SMILES notation for deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The canonical SMILES for deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is [2H][Si](CCCB1OC(C)(C)C(C)(C)O1)(CCc1ccccc1)c1ccccc1.
What is the InChIKey of deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The InChIKey is RSPXZFWZUKMBIL-BPVCDHNKSA-N. The full InChI is InChI=1S/C23H33BO2Si/c1-22(2)23(3,4)26-24(25-22)17-11-18-27(21-14-9-6-10-15-21)19-16-20-12-7-5-8-13-20/h5-10,12-15,27H,11,16-19H2,1-4H3/i27D.
What are the key properties of deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane has a molecular weight of 381.42 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-phenyl-(2-phenylethyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is sourced from PubChem (CID 166636950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).