CID 166519746

C8H16O5Si2 — CID 166519746

IUPAC—
SMILESC=CC(=O)OC[Si](OC)(OC)OCC.[Si]
InChIInChI=1S/C8H16O5Si.Si/c1-5-8(9)12-7-14(10-3,11-4)13-6-2;/h5H,1,6-7H2,2-4H3;
InChIKeyHFRFVUFBSAYLOG-UHFFFAOYSA-N
MW248.38 g/mol
LogP0.14
Rot. Bonds7

About CID 166519746

CID 166519746 (PubChem CID 166519746) has the molecular formula C8H16O5Si2 and a molecular weight of 248.38 g/mol.

Molecular Properties

Compound NameCID 166519746
PubChem CID166519746
Molecular FormulaC8H16O5Si2
Molecular Weight248.38 g/mol
Exact Mass248.05
IUPAC Name—
SMILESC=CC(=O)OC[Si](OC)(OC)OCC.[Si]
InChIInChI=1S/C8H16O5Si.Si/c1-5-8(9)12-7-14(10-3,11-4)13-6-2;/h5H,1,6-7H2,2-4H3;
InChIKeyHFRFVUFBSAYLOG-UHFFFAOYSA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 50.14
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

9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate
CID 141012746
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
(ethoxy-ethyl-propylsilyl)methyl prop-2-enoate
CID 141190333
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate
CID 175016838

Frequently Asked Questions

What is the IUPAC name of CID 166519746?
The IUPAC name of CID 166519746 (CID 166519746) is not available.
What is the SMILES notation for CID 166519746?
The canonical SMILES for CID 166519746 is C=CC(=O)OC[Si](OC)(OC)OCC.[Si].
What is the InChIKey of CID 166519746?
The InChIKey is HFRFVUFBSAYLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5Si.Si/c1-5-8(9)12-7-14(10-3,11-4)13-6-2;/h5H,1,6-7H2,2-4H3;.
What are the key properties of CID 166519746?
CID 166519746 has a molecular weight of 248.38 g/mol, XLogP of 0.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166519746 is sourced from PubChem (CID 166519746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).