[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane

C28H39BO3Si — CID 102283711

IUPAC[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)CC1(O[SiH](c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C28H39BO3Si/c1-23(22-29-30-26(2,3)27(4,5)31-29)21-28(19-13-8-14-20-28)32-33(24-15-9-6-10-16-24)25-17-11-7-12-18-25/h6-7,9-12,15-18,22,33H,8,13-14,19-21H2,1-5H3/b23-22+
InChIKeyRPECAVOOIVCTGB-GHVJWSGMSA-N
MW462.52 g/mol
LogP5.21
Rot. Bonds7

About [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane

[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane (PubChem CID 102283711) has the molecular formula C28H39BO3Si and a molecular weight of 462.52 g/mol. Its IUPAC name is [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane.

Molecular Properties

Compound Name[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane
PubChem CID102283711
Molecular FormulaC28H39BO3Si
Molecular Weight462.52 g/mol
Exact Mass462.28
IUPAC Name[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)CC1(O[SiH](c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C28H39BO3Si/c1-23(22-29-30-26(2,3)27(4,5)31-29)21-28(19-13-8-14-20-28)32-33(24-15-9-6-10-16-24)25-17-11-7-12-18-25/h6-7,9-12,15-18,22,33H,8,13-14,19-21H2,1-5H3/b23-22+
InChIKeyRPECAVOOIVCTGB-GHVJWSGMSA-N
XLogP5.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.21
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

4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 102483613
trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane
CID 166438777
trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
CID 134904347
dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
CID 135063249
2-[(E)-2-(4-chlorophenyl)-2-phenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101495067
2-[(1R,2S)-2-tert-butyl-1-diphenylsilyloxycyclopentyl]acetic acid
CID 173122469
ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
CID 153403088
2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130951837
1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol
CID 134894646
1-[[2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]methyl]cyclohexan-1-ol
CID 171111817
1-methyl-1-phenoxycycloheptane
CID 101026780
methyl (1R,5S)-5-[(E)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohex-3-ene-1-carboxylate
CID 166448334

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane?
The IUPAC name of [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane (CID 102283711) is [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane.
What is the SMILES notation for [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane?
The canonical SMILES for [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane is C/C(=C\B1OC(C)(C)C(C)(C)O1)CC1(O[SiH](c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane?
The InChIKey is RPECAVOOIVCTGB-GHVJWSGMSA-N. The full InChI is InChI=1S/C28H39BO3Si/c1-23(22-29-30-26(2,3)27(4,5)31-29)21-28(19-13-8-14-20-28)32-33(24-15-9-6-10-16-24)25-17-11-7-12-18-25/h6-7,9-12,15-18,22,33H,8,13-14,19-21H2,1-5H3/b23-22+.
What are the key properties of [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane?
[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane has a molecular weight of 462.52 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 102283711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).