3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate

C16H38O14Si4 — CID 91235537

IUPAC3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](O[Si](CO)(CO)CO)(O[Si](CO)(CO)CO)O[Si](CO)(CO)CO
InChIInChI=1S/C16H38O14Si4/c1-2-4-16(26)27-5-3-6-34(28-31(7-17,8-18)9-19,29-32(10-20,11-21)12-22)30-33(13-23,14-24)15-25/h2,4,17-25H,3,5-15H2,1H3
InChIKeySYLJCMYZVWGGNP-UHFFFAOYSA-N
MW566.81 g/mol
LogP-4.90
Rot. Bonds20

About 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate

3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate (PubChem CID 91235537) has the molecular formula C16H38O14Si4 and a molecular weight of 566.81 g/mol. Its IUPAC name is 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
PubChem CID91235537
Molecular FormulaC16H38O14Si4
Molecular Weight566.81 g/mol
Exact Mass566.13
IUPAC Name3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](O[Si](CO)(CO)CO)(O[Si](CO)(CO)CO)O[Si](CO)(CO)CO
InChIInChI=1S/C16H38O14Si4/c1-2-4-16(26)27-5-3-6-34(28-31(7-17,8-18)9-19,29-32(10-20,11-21)12-22)30-33(13-23,14-24)15-25/h2,4,17-25H,3,5-15H2,1H3
InChIKeySYLJCMYZVWGGNP-UHFFFAOYSA-N
XLogP-4.90
TPSA236.06 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500566.81
LogP ≤ 5-4.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

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-triacetyloxysilylpropyl but-2-enoate
CID 57008855
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897

Frequently Asked Questions

What is the IUPAC name of 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate?
The IUPAC name of 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate (CID 91235537) is 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate?
The canonical SMILES for 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](O[Si](CO)(CO)CO)(O[Si](CO)(CO)CO)O[Si](CO)(CO)CO.
What is the InChIKey of 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate?
The InChIKey is SYLJCMYZVWGGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O14Si4/c1-2-4-16(26)27-5-3-6-34(28-31(7-17,8-18)9-19,29-32(10-20,11-21)12-22)30-33(13-23,14-24)15-25/h2,4,17-25H,3,5-15H2,1H3.
What are the key properties of 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate?
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate has a molecular weight of 566.81 g/mol, XLogP of -4.90, 20 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate is sourced from PubChem (CID 91235537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).