(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one

C27H30O4Si — CID 23243573

IUPAC(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
SMILESCC(C)(C)[Si](OC/C=C/C=C1\C=C(/C=C/CO)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O4Si/c1-27(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)30-20-11-10-14-23-21-22(13-12-19-28)26(29)31-23/h4-18,21,28H,19-20H2,1-3H3/b11-10+,13-12+,23-14+
InChIKeyPQJHPAUWGWPGKJ-LZTYCBFESA-N
MW446.62 g/mol
LogP4.03
Rot. Bonds8

About (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one

(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one (PubChem CID 23243573) has the molecular formula C27H30O4Si and a molecular weight of 446.62 g/mol. Its IUPAC name is (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
PubChem CID23243573
Molecular FormulaC27H30O4Si
Molecular Weight446.62 g/mol
Exact Mass446.19
IUPAC Name(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
SMILESCC(C)(C)[Si](OC/C=C/C=C1\C=C(/C=C/CO)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O4Si/c1-27(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)30-20-11-10-14-23-21-22(13-12-19-28)26(29)31-23/h4-18,21,28H,19-20H2,1-3H3/b11-10+,13-12+,23-14+
InChIKeyPQJHPAUWGWPGKJ-LZTYCBFESA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one
CID 71682556
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
(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
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The IUPAC name of (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one (CID 23243573) is (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one.
What is the SMILES notation for (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The canonical SMILES for (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one is CC(C)(C)[Si](OC/C=C/C=C1\C=C(/C=C/CO)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The InChIKey is PQJHPAUWGWPGKJ-LZTYCBFESA-N. The full InChI is InChI=1S/C27H30O4Si/c1-27(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)30-20-11-10-14-23-21-22(13-12-19-28)26(29)31-23/h4-18,21,28H,19-20H2,1-3H3/b11-10+,13-12+,23-14+.
What are the key properties of (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one has a molecular weight of 446.62 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one is sourced from PubChem (CID 23243573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).