3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate

C13H22O6Si — CID 139835403

IUPAC3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H22O6Si/c1-6-20(18-11(4)14,19-12(5)15)9-7-8-17-13(16)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyCQUDYEPYPNCEFE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.08
Rot. Bonds8

About 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate

3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 139835403) has the molecular formula C13H22O6Si and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID139835403
Molecular FormulaC13H22O6Si
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C13H22O6Si/c1-6-20(18-11(4)14,19-12(5)15)9-7-8-17-13(16)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyCQUDYEPYPNCEFE-UHFFFAOYSA-N
XLogP2.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375
3-[diethyl(2-methylprop-2-enyl)silyl]propyl 2-methylprop-2-enoate
CID 167321908
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
CID 21432018
3-[[[[acetyloxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 11826747
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate
CID 167321922
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002

Frequently Asked Questions

What is the IUPAC name of 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate (CID 139835403) is 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](CC)(OC(C)=O)OC(C)=O.
What is the InChIKey of 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is CQUDYEPYPNCEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6Si/c1-6-20(18-11(4)14,19-12(5)15)9-7-8-17-13(16)10(2)3/h2,6-9H2,1,3-5H3.
What are the key properties of 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate?
3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 302.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139835403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).