[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate

C12H16O8Si — CID 151882777

IUPAC[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
SMILESC=CC(OC(C)=O)C(=O)O[Si](C=C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H16O8Si/c1-6-11(17-8(3)13)12(16)20-21(7-2,18-9(4)14)19-10(5)15/h6-7,11H,1-2H2,3-5H3
InChIKeySPBKTOLSLFDPOT-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.44
Rot. Bonds7

About [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate

[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate (PubChem CID 151882777) has the molecular formula C12H16O8Si and a molecular weight of 316.34 g/mol. Its IUPAC name is [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate.

Molecular Properties

Compound Name[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
PubChem CID151882777
Molecular FormulaC12H16O8Si
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
SMILESC=CC(OC(C)=O)C(=O)O[Si](C=C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H16O8Si/c1-6-11(17-8(3)13)12(16)20-21(7-2,18-9(4)14)19-10(5)15/h6-7,11H,1-2H2,3-5H3
InChIKeySPBKTOLSLFDPOT-UHFFFAOYSA-N
XLogP0.44
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
3-Butenoic acid, 2-(acetyloxy)-, ethyl ester
CID 11321229
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
Methyl 2-propanoyloxybut-3-enoate
CID 54360795
Tri(propan-2-yl)silyl 2-prop-2-enoyloxypropanoate
CID 87706192
Methyl 2-(1-methoxy-1-oxobut-3-en-2-yl)oxybut-3-enoate
CID 88729237
Propan-2-yl 2-propan-2-yloxybut-3-enoate
CID 90912238
[Diacetyloxy(methyl)silyl] 2-prop-2-enoyloxypropanoate
CID 151148002
(Acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate
CID 151424418
2-Trimethylsilylethyl 2-formyloxybut-3-enoate
CID 173253958
Acetyl 2-ethoxybut-3-enoate
CID 174771375
[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10610211

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate?
The IUPAC name of [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate (CID 151882777) is [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate.
What is the SMILES notation for [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate?
The canonical SMILES for [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate is C=CC(OC(C)=O)C(=O)O[Si](C=C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate?
The InChIKey is SPBKTOLSLFDPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8Si/c1-6-11(17-8(3)13)12(16)20-21(7-2,18-9(4)14)19-10(5)15/h6-7,11H,1-2H2,3-5H3.
What are the key properties of [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate?
[diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate has a molecular weight of 316.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate is sourced from PubChem (CID 151882777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).