[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane

C27H29BrOSi — CID 10435146

IUPAC[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane
SMILESC=CC(=C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C27H29BrOSi/c1-6-21(2)26(22-17-19-23(28)20-18-22)29-30(27(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-20,26H,1-2H2,3-5H3
InChIKeyRVEWQFJNDKKMGG-UHFFFAOYSA-N
MW477.52 g/mol
LogP6.81
Rot. Bonds7

About [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane

[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane (PubChem CID 10435146) has the molecular formula C27H29BrOSi and a molecular weight of 477.52 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane
PubChem CID10435146
Molecular FormulaC27H29BrOSi
Molecular Weight477.52 g/mol
Exact Mass476.12
IUPAC Name[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane
SMILESC=CC(=C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C27H29BrOSi/c1-6-21(2)26(22-17-19-23(28)20-18-22)29-30(27(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-20,26H,1-2H2,3-5H3
InChIKeyRVEWQFJNDKKMGG-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
1-[(1R)-4-[(R)-(4-bromophenyl)-[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanone
CID 10392710
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane (CID 10435146) is [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane is C=CC(=C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is RVEWQFJNDKKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrOSi/c1-6-21(2)26(22-17-19-23(28)20-18-22)29-30(27(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h6-20,26H,1-2H2,3-5H3.
What are the key properties of [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane?
[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 477.52 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10435146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).