3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate

C12H20O7Si — CID 87470518

IUPAC3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OCOC(=O)C=C
InChIInChI=1S/C12H20O7Si/c1-5-11(13)17-8-7-9-20(15-3,16-4)19-10-18-12(14)6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeySXQDNEQMDQPJAO-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.04
Rot. Bonds11

About 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate

3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate (PubChem CID 87470518) has the molecular formula C12H20O7Si and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate
PubChem CID87470518
Molecular FormulaC12H20O7Si
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OCOC(=O)C=C
InChIInChI=1S/C12H20O7Si/c1-5-11(13)17-8-7-9-20(15-3,16-4)19-10-18-12(14)6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeySXQDNEQMDQPJAO-UHFFFAOYSA-N
XLogP1.04
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate (CID 87470518) is 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](OC)(OC)OCOC(=O)C=C.
What is the InChIKey of 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate?
The InChIKey is SXQDNEQMDQPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7Si/c1-5-11(13)17-8-7-9-20(15-3,16-4)19-10-18-12(14)6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate?
3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate has a molecular weight of 304.37 g/mol, XLogP of 1.04, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(prop-2-enoyloxymethoxy)silyl]propyl prop-2-enoate is sourced from PubChem (CID 87470518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).