1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate

C16H38O5Si4 — CID 18949618

IUPAC1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si4/c1-12-15(18-16(17)13-2)14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13,15H,2,12,14H2,1,3-11H3
InChIKeyOXDSKBSIGJOMKD-UHFFFAOYSA-N
MW422.82 g/mol
LogP4.99
Rot. Bonds11

About 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate

1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate (PubChem CID 18949618) has the molecular formula C16H38O5Si4 and a molecular weight of 422.82 g/mol. Its IUPAC name is 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
PubChem CID18949618
Molecular FormulaC16H38O5Si4
Molecular Weight422.82 g/mol
Exact Mass422.18
IUPAC Name1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si4/c1-12-15(18-16(17)13-2)14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13,15H,2,12,14H2,1,3-11H3
InChIKeyOXDSKBSIGJOMKD-UHFFFAOYSA-N
XLogP4.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 54.99
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

[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
dodecan-3-yl prop-2-enoate
CID 543279
[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
CID 59648758
7-hydroxyoctan-3-yl prop-2-enoate
CID 88696843
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
1-dimethylsilyloxybutan-2-yl prop-2-enoate
CID 173371383
4-prop-2-enoyloxyhexane-1-sulfonic acid
CID 154020231
4-oxo-4-(2-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 91078384
octadecan-6-yl prop-2-enoate
CID 91523695

Frequently Asked Questions

What is the IUPAC name of 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate?
The IUPAC name of 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate (CID 18949618) is 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate.
What is the SMILES notation for 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate?
The canonical SMILES for 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate is C=CC(=O)OC(CC)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate?
The InChIKey is OXDSKBSIGJOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si4/c1-12-15(18-16(17)13-2)14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13,15H,2,12,14H2,1,3-11H3.
What are the key properties of 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate?
1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate has a molecular weight of 422.82 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 18949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).