3-triacetyloxysilylpropyl but-2-enoate

C13H20O8Si — CID 57008855

IUPAC3-triacetyloxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H20O8Si/c1-5-7-13(17)18-8-6-9-22(19-10(2)14,20-11(3)15)21-12(4)16/h5,7H,6,8-9H2,1-4H3
InChIKeyCJFPOUOZCGIKHK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.12
Rot. Bonds8

About 3-triacetyloxysilylpropyl but-2-enoate

3-triacetyloxysilylpropyl but-2-enoate (PubChem CID 57008855) has the molecular formula C13H20O8Si and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-triacetyloxysilylpropyl but-2-enoate.

Molecular Properties

Compound Name3-triacetyloxysilylpropyl but-2-enoate
PubChem CID57008855
Molecular FormulaC13H20O8Si
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name3-triacetyloxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H20O8Si/c1-5-7-13(17)18-8-6-9-22(19-10(2)14,20-11(3)15)21-12(4)16/h5,7H,6,8-9H2,1-4H3
InChIKeyCJFPOUOZCGIKHK-UHFFFAOYSA-N
XLogP1.12
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
3-dimethoxysilylpropyl but-2-enoate
CID 123850161
4-trifluorosilylbutyl but-2-enoate
CID 174106149

Frequently Asked Questions

What is the IUPAC name of 3-triacetyloxysilylpropyl but-2-enoate?
The IUPAC name of 3-triacetyloxysilylpropyl but-2-enoate (CID 57008855) is 3-triacetyloxysilylpropyl but-2-enoate.
What is the SMILES notation for 3-triacetyloxysilylpropyl but-2-enoate?
The canonical SMILES for 3-triacetyloxysilylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of 3-triacetyloxysilylpropyl but-2-enoate?
The InChIKey is CJFPOUOZCGIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O8Si/c1-5-7-13(17)18-8-6-9-22(19-10(2)14,20-11(3)15)21-12(4)16/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 3-triacetyloxysilylpropyl but-2-enoate?
3-triacetyloxysilylpropyl but-2-enoate has a molecular weight of 332.38 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triacetyloxysilylpropyl but-2-enoate is sourced from PubChem (CID 57008855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).