(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one

C23H40O4Si2 — CID 11122995

IUPAC(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C=C1/C=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)25-16-12-11-15-20-18-19(21(24)27-20)14-13-17-26-29(9,10)23(4,5)6/h11-15,18H,16-17H2,1-10H3/b12-11+,14-13+,20-15-
InChIKeyVTANBWHOHVIIRN-HTAWSZLJSA-N
MW436.74 g/mol
LogP6.51
Rot. Bonds8

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

(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one (PubChem CID 11122995) has the molecular formula C23H40O4Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one
PubChem CID11122995
Molecular FormulaC23H40O4Si2
Molecular Weight436.74 g/mol
Exact Mass436.25
IUPAC Name(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C=C1/C=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)25-16-12-11-15-20-18-19(21(24)27-20)14-13-17-26-29(9,10)23(4,5)6/h11-15,18H,16-17H2,1-10H3/b12-11+,14-13+,20-15-
InChIKeyVTANBWHOHVIIRN-HTAWSZLJSA-N
XLogP6.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.74
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
CID 11244662
ethyl (2E,4E,6E,8E,10E,12E,14E,16S)-17-[tert-butyl(dimethyl)silyl]oxy-16-methylheptadeca-2,4,6,8,10,12,14-heptaenoate
CID 11396255
[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
CID 24850677
methyl (2E,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
CID 101181428
methyl (2E,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxy-2-methyltrideca-2,4,6,8,10-pentaenoate
CID 101181430
methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate
CID 101181431
prop-2-enyl (2E,4E,6E)-9-[tert-butyl(dimethyl)silyl]oxynona-2,4,6-trienoate
CID 101424838
(2R)-2-[(1E,3E,6R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhepta-1,3-dienyl]-2,3-dihydropyran-6-one
CID 102050112
methyl (2E,3E,5E,9E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,10-dimethylundeca-3,5,9-trienoate
CID 102385619
2-Trimethylsilylethyl 2-oxopyran-4-carboxylate
CID 134895285
ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate
CID 134903462
methyl (2Z,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxytrideca-2,4,6,8,10-pentaenoate
CID 134982239

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one?
The IUPAC name of (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one (CID 11122995) is (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one.
What is the SMILES notation for (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one?
The canonical SMILES for (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one is CC(C)(C)[Si](C)(C)OC/C=C/C=C1/C=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one?
The InChIKey is VTANBWHOHVIIRN-HTAWSZLJSA-N. The full InChI is InChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)25-16-12-11-15-20-18-19(21(24)27-20)14-13-17-26-29(9,10)23(4,5)6/h11-15,18H,16-17H2,1-10H3/b12-11+,14-13+,20-15-.
What are the key properties of (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one?
(5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one has a molecular weight of 436.74 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one is sourced from PubChem (CID 11122995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).