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

C20H33BO2Si — CID 135049091

IUPACdimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(CCC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H33BO2Si/c1-9-13-18(24(7,8)17-14-11-10-12-15-17)16(2)21-22-19(3,4)20(5,6)23-21/h10-12,14-15,18H,2,9,13H2,1,3-8H3
InChIKeyVFZFOVXBVDORAA-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.96
Rot. Bonds6

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

dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane (PubChem CID 135049091) has the molecular formula C20H33BO2Si and a molecular weight of 344.38 g/mol. Its IUPAC name is dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
PubChem CID135049091
Molecular FormulaC20H33BO2Si
Molecular Weight344.38 g/mol
Exact Mass344.23
IUPAC Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(CCC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H33BO2Si/c1-9-13-18(24(7,8)17-14-11-10-12-15-17)16(2)21-22-19(3,4)20(5,6)23-21/h10-12,14-15,18H,2,9,13H2,1,3-8H3
InChIKeyVFZFOVXBVDORAA-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.96
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

methyl-diphenyl-[(2S)-2-(2-phenylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]silane
CID 101486287
[(3S)-3-[dimethyl(phenyl)silyl]-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl] acetate
CID 135850446
4,4,5,5-tetramethyl-2-[(2R)-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 101369795
[(3S)-3-[[dimethyl(phenyl)silyl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl] acetate
CID 135060950
tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 135060739
(3R)-3-[dimethyl(phenyl)silyl]-4-methylpent-4-en-1-ol
CID 100920671
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210
2-[3-(benzenesulfonyl)octa-1,7-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102584680
dimethyl-phenyl-[2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904088
4,4,5,5-tetramethyl-2-[(2R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 11347361
4,4,5,5-tetramethyl-2-[(Z)-1-phenylpent-1-en-2-yl]-1,3,2-dioxaborolane
CID 66553482
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane?
The IUPAC name of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane (CID 135049091) is dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane.
What is the SMILES notation for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane?
The canonical SMILES for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane is C=C(B1OC(C)(C)C(C)(C)O1)C(CCC)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane?
The InChIKey is VFZFOVXBVDORAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BO2Si/c1-9-13-18(24(7,8)17-14-11-10-12-15-17)16(2)21-22-19(3,4)20(5,6)23-21/h10-12,14-15,18H,2,9,13H2,1,3-8H3.
What are the key properties of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane?
dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane has a molecular weight of 344.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane is sourced from PubChem (CID 135049091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).