1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate

C22H56O5Si7 — CID 176899209

IUPAC1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OC(CC)[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C22H56O5Si7/c1-18-20-21(23)24-22(19-2)34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h18,20,22H,19H2,1-17H3/b20-18+
InChIKeyNFLFZAROYDDTOA-CZIZESTLSA-N
MW597.29 g/mol
LogP7.28
Rot. Bonds13

About 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate

1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate (PubChem CID 176899209) has the molecular formula C22H56O5Si7 and a molecular weight of 597.29 g/mol. Its IUPAC name is 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate.

Molecular Properties

Compound Name1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate
PubChem CID176899209
Molecular FormulaC22H56O5Si7
Molecular Weight597.29 g/mol
Exact Mass596.25
IUPAC Name1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OC(CC)[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C22H56O5Si7/c1-18-20-21(23)24-22(19-2)34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h18,20,22H,19H2,1-17H3/b20-18+
InChIKeyNFLFZAROYDDTOA-CZIZESTLSA-N
XLogP7.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.29
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-tris[[ethenyl(dimethyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87532765
4-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 1-O-[1-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 173346817
3-methylpentan-2-yl but-2-enoate
CID 86762558
1,3-dihydroxypropan-2-yl but-2-enoate
CID 151832550
3,3-dimethylhexan-2-yl (E)-but-2-enoate
CID 129033524
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
(3R)-3-[(Z)-but-2-enoyl]oxypentanoic acid
CID 170989002
3-[(E)-but-2-enoyl]oxybutan-2-yl (E)-but-2-enoate
CID 101312230
1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
CID 87405020
1-sulfanylethyl but-2-enoate
CID 173263515
1,1,1-trifluoropropan-2-yl but-2-enoate
CID 174544413
oct-3-yn-2-yl (E)-but-2-enoate
CID 102254043

Frequently Asked Questions

What is the IUPAC name of 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate?
The IUPAC name of 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate (CID 176899209) is 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate.
What is the SMILES notation for 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate?
The canonical SMILES for 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate is C/C=C/C(=O)OC(CC)[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate?
The InChIKey is NFLFZAROYDDTOA-CZIZESTLSA-N. The full InChI is InChI=1S/C22H56O5Si7/c1-18-20-21(23)24-22(19-2)34(25-31(12,13)28(3,4)5,26-32(14,15)29(6,7)8)27-33(16,17)30(9,10)11/h18,20,22H,19H2,1-17H3/b20-18+.
What are the key properties of 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate?
1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate has a molecular weight of 597.29 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate is sourced from PubChem (CID 176899209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).