(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one

C25H27BrO3Si — CID 71682556

IUPAC(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one
SMILESCC(/C=C1/C=C(Br)C(=O)O1)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H27BrO3Si/c1-19(17-20-18-23(26)24(27)29-20)15-16-28-30(25(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,17-18H,16H2,1-4H3/b19-15+,20-17-
InChIKeyZTALKJRSZJUZQP-YKZVWFMFSA-N
MW483.48 g/mol
LogP5.23
Rot. Bonds6

About (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one

(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one (PubChem CID 71682556) has the molecular formula C25H27BrO3Si and a molecular weight of 483.48 g/mol. Its IUPAC name is (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one
PubChem CID71682556
Molecular FormulaC25H27BrO3Si
Molecular Weight483.48 g/mol
Exact Mass482.09
IUPAC Name(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one
SMILESCC(/C=C1/C=C(Br)C(=O)O1)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H27BrO3Si/c1-19(17-20-18-23(26)24(27)29-20)15-16-28-30(25(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,17-18H,16H2,1-4H3/b19-15+,20-17-
InChIKeyZTALKJRSZJUZQP-YKZVWFMFSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 55.23
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

(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
CID 23243573
ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
CID 10741121
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one?
The IUPAC name of (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one (CID 71682556) is (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one?
The canonical SMILES for (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one is CC(/C=C1/C=C(Br)C(=O)O1)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one?
The InChIKey is ZTALKJRSZJUZQP-YKZVWFMFSA-N. The full InChI is InChI=1S/C25H27BrO3Si/c1-19(17-20-18-23(26)24(27)29-20)15-16-28-30(25(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,17-18H,16H2,1-4H3/b19-15+,20-17-.
What are the key properties of (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one?
(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one has a molecular weight of 483.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one is sourced from PubChem (CID 71682556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).