prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C13H26O5Si — CID 158143032

IUPACprop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC
InChIInChI=1S/C10H20O5Si.C3H6/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-2/h1,6-8H2,2-5H3;3H,1H2,2H3
InChIKeyFUEHCEJHKVPJFR-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.57
Rot. Bonds8

About prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 158143032) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameprop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID158143032
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Nameprop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC
InChIInChI=1S/C10H20O5Si.C3H6/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-2/h1,6-8H2,2-5H3;3H,1H2,2H3
InChIKeyFUEHCEJHKVPJFR-UHFFFAOYSA-N
XLogP2.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.57
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 158143032) is prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC.
What is the InChIKey of prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is FUEHCEJHKVPJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C3H6/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-2/h1,6-8H2,2-5H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 290.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 158143032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).