6-triethoxysilylhexan-2-yl prop-2-enoate

C15H30O5Si — CID 141250716

IUPAC6-triethoxysilylhexan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O5Si/c1-6-15(16)20-14(5)12-10-11-13-21(17-7-2,18-8-3)19-9-4/h6,14H,1,7-13H2,2-5H3
InChIKeyBLXNGYRQWKXENW-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.32
Rot. Bonds13

About 6-triethoxysilylhexan-2-yl prop-2-enoate

6-triethoxysilylhexan-2-yl prop-2-enoate (PubChem CID 141250716) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 6-triethoxysilylhexan-2-yl prop-2-enoate.

Molecular Properties

Compound Name6-triethoxysilylhexan-2-yl prop-2-enoate
PubChem CID141250716
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name6-triethoxysilylhexan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O5Si/c1-6-15(16)20-14(5)12-10-11-13-21(17-7-2,18-8-3)19-9-4/h6,14H,1,7-13H2,2-5H3
InChIKeyBLXNGYRQWKXENW-UHFFFAOYSA-N
XLogP3.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
CID 158810416
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
5-methylhexan-2-yl prop-2-enoate
CID 151222941

Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilylhexan-2-yl prop-2-enoate?
The IUPAC name of 6-triethoxysilylhexan-2-yl prop-2-enoate (CID 141250716) is 6-triethoxysilylhexan-2-yl prop-2-enoate.
What is the SMILES notation for 6-triethoxysilylhexan-2-yl prop-2-enoate?
The canonical SMILES for 6-triethoxysilylhexan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 6-triethoxysilylhexan-2-yl prop-2-enoate?
The InChIKey is BLXNGYRQWKXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-6-15(16)20-14(5)12-10-11-13-21(17-7-2,18-8-3)19-9-4/h6,14H,1,7-13H2,2-5H3.
What are the key properties of 6-triethoxysilylhexan-2-yl prop-2-enoate?
6-triethoxysilylhexan-2-yl prop-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 3.32, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilylhexan-2-yl prop-2-enoate is sourced from PubChem (CID 141250716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).