tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate

C22H46O9Si2 — CID 175262529

IUPACtetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1(OC)CCCC[Si]1(OC)OC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H26O5Si.C8H20O4Si/c1-5-13(15)19-11-8-10-14(16-2)9-6-7-12-20(14,17-3)18-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-12H2,2-4H3;5-8H2,1-4H3
InChIKeyQSUGWXAANZZDAN-UHFFFAOYSA-N
MW510.77 g/mol
LogP3.91
Rot. Bonds16

About tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate

tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate (PubChem CID 175262529) has the molecular formula C22H46O9Si2 and a molecular weight of 510.77 g/mol. Its IUPAC name is tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate.

Molecular Properties

Compound Nametetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
PubChem CID175262529
Molecular FormulaC22H46O9Si2
Molecular Weight510.77 g/mol
Exact Mass510.27
IUPAC Nametetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1(OC)CCCC[Si]1(OC)OC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H26O5Si.C8H20O4Si/c1-5-13(15)19-11-8-10-14(16-2)9-6-7-12-20(14,17-3)18-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-12H2,2-4H3;5-8H2,1-4H3
InChIKeyQSUGWXAANZZDAN-UHFFFAOYSA-N
XLogP3.91
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
[2-hydroxy-3-(4-triethoxysilylbutanoylamino)propyl] prop-2-enoate;4-triethoxysilylbutan-1-amine;1,1,2-trimethoxy-2-propylsilinane
CID 175297530
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate
CID 174873757
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370

Frequently Asked Questions

What is the IUPAC name of tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate?
The IUPAC name of tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate (CID 175262529) is tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate.
What is the SMILES notation for tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate?
The canonical SMILES for tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate is C=CC(=O)OCCCC1(OC)CCCC[Si]1(OC)OC.CCO[Si](OCC)(OCC)OCC.
What is the InChIKey of tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate?
The InChIKey is QSUGWXAANZZDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si.C8H20O4Si/c1-5-13(15)19-11-8-10-14(16-2)9-6-7-12-20(14,17-3)18-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-12H2,2-4H3;5-8H2,1-4H3.
What are the key properties of tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate?
tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate has a molecular weight of 510.77 g/mol, XLogP of 3.91, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate is sourced from PubChem (CID 175262529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).