1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate

C10H18O5Si — CID 19366419

IUPAC1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)[Si](OC)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6/h7,9H,1-2H2,3-6H3
InChIKeyAHSCISSDCKZUGF-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.08
Rot. Bonds7

About 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate

1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate (PubChem CID 19366419) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate
PubChem CID19366419
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)[Si](OC)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6/h7,9H,1-2H2,3-6H3
InChIKeyAHSCISSDCKZUGF-UHFFFAOYSA-N
XLogP1.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate (CID 19366419) is 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate is C=CC(OC(=O)C(=C)C)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is AHSCISSDCKZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6/h7,9H,1-2H2,3-6H3.
What are the key properties of 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate?
1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 246.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 19366419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).