[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane

C18H29BO4Si — CID 167723396

IUPAC[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane
SMILESCOc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H29BO4Si/c1-17(2)18(3,4)23-19(22-17)12-11-14-9-10-15(16(13-14)20-5)21-24(6,7)8/h9-13H,1-8H3/b12-11+
InChIKeyJSSGZNVBLFNQQD-VAWYXSNFSA-N
MW348.32 g/mol
LogP4.55
Rot. Bonds5

About [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane

[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane (PubChem CID 167723396) has the molecular formula C18H29BO4Si and a molecular weight of 348.32 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane
PubChem CID167723396
Molecular FormulaC18H29BO4Si
Molecular Weight348.32 g/mol
Exact Mass348.19
IUPAC Name[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane
SMILESCOc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H29BO4Si/c1-17(2)18(3,4)23-19(22-17)12-11-14-9-10-15(16(13-14)20-5)21-24(6,7)8/h9-13H,1-8H3/b12-11+
InChIKeyJSSGZNVBLFNQQD-VAWYXSNFSA-N
XLogP4.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523511
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
4-fluoro-3-methoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde;methoxymethane
CID 144699686
4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]aniline
CID 168897718
2-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]propan-2-ol
CID 74788552
4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 175079119
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
4,4,5,5-tetramethyl-2-[2-(3-nitrophenyl)ethenyl]-1,3,2-dioxaborolane
CID 85382158
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyridin-2-one
CID 74789121
2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine
CID 68761585
4-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]morpholine
CID 68698013
4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890742

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane?
The IUPAC name of [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane (CID 167723396) is [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane.
What is the SMILES notation for [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane?
The canonical SMILES for [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane is COc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C.
What is the InChIKey of [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane?
The InChIKey is JSSGZNVBLFNQQD-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H29BO4Si/c1-17(2)18(3,4)23-19(22-17)12-11-14-9-10-15(16(13-14)20-5)21-24(6,7)8/h9-13H,1-8H3/b12-11+.
What are the key properties of [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane?
[2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane has a molecular weight of 348.32 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]-trimethylsilane is sourced from PubChem (CID 167723396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).