bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate

C25H44O8Si4 — CID 91735402

IUPACbis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
SMILESC[Si](C)(C)OC(=O)C(OC(=O)/C=C\c1ccc(O[Si](C)(C)C)cc1)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C25H44O8Si4/c1-34(2,3)30-20-16-13-19(14-17-20)15-18-21(26)29-22(24(27)32-36(7,8)9)23(31-35(4,5)6)25(28)33-37(10,11)12/h13-18,22-23H,1-12H3/b18-15-
InChIKeyUXTFDOZFZVLZAV-SDXDJHTJSA-N
MW584.96 g/mol
LogP5.80
Rot. Bonds12

About bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate

bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate (PubChem CID 91735402) has the molecular formula C25H44O8Si4 and a molecular weight of 584.96 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
PubChem CID91735402
Molecular FormulaC25H44O8Si4
Molecular Weight584.96 g/mol
Exact Mass584.21
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
SMILESC[Si](C)(C)OC(=O)C(OC(=O)/C=C\c1ccc(O[Si](C)(C)C)cc1)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C25H44O8Si4/c1-34(2,3)30-20-16-13-19(14-17-20)15-18-21(26)29-22(24(27)32-36(7,8)9)23(31-35(4,5)6)25(28)33-37(10,11)12/h13-18,22-23H,1-12H3/b18-15-
InChIKeyUXTFDOZFZVLZAV-SDXDJHTJSA-N
XLogP5.80
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.96
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
dimethyl (2R,3R)-2,3-bis[[(E)-3-phenylprop-2-enoyl]oxy]butanedioate
CID 10343064
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 140807731
trimethyl-(4-prop-1-enylphenoxy)silane
CID 141363385
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 93483150
(2S,3S)-2-acetyloxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
CID 162919789
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-(2-methoxy-2-trimethylsilyloxyethenyl)phenoxy]-trimethylsilane
CID 72961640

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate (CID 91735402) is bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate is C[Si](C)(C)OC(=O)C(OC(=O)/C=C\c1ccc(O[Si](C)(C)C)cc1)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate?
The InChIKey is UXTFDOZFZVLZAV-SDXDJHTJSA-N. The full InChI is InChI=1S/C25H44O8Si4/c1-34(2,3)30-20-16-13-19(14-17-20)15-18-21(26)29-22(24(27)32-36(7,8)9)23(31-35(4,5)6)25(28)33-37(10,11)12/h13-18,22-23H,1-12H3/b18-15-.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate has a molecular weight of 584.96 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate is sourced from PubChem (CID 91735402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).