[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate

C23H40O9Si — CID 175369896

IUPAC[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCOCC1CO1)O[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C23H40O9Si/c1-18(2)22(24)29-13-8-11-20(10-7-12-28-16-21-17-31-21)32-33(26-5,27-6)15-9-14-30-23(25)19(3)4/h20-21H,1,3,7-17H2,2,4-6H3
InChIKeyPYSMAQTVOMJOLP-UHFFFAOYSA-N
MW488.65 g/mol
LogP3.21
Rot. Bonds20

About [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate

[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate (PubChem CID 175369896) has the molecular formula C23H40O9Si and a molecular weight of 488.65 g/mol. Its IUPAC name is [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
PubChem CID175369896
Molecular FormulaC23H40O9Si
Molecular Weight488.65 g/mol
Exact Mass488.24
IUPAC Name[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCOCC1CO1)O[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C23H40O9Si/c1-18(2)22(24)29-13-8-11-20(10-7-12-28-16-21-17-31-21)32-33(26-5,27-6)15-9-14-30-23(25)19(3)4/h20-21H,1,3,7-17H2,2,4-6H3
InChIKeyPYSMAQTVOMJOLP-UHFFFAOYSA-N
XLogP3.21
TPSA102.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173321049
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 88618101
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 139645621

Frequently Asked Questions

What is the IUPAC name of [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate (CID 175369896) is [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(CCCOCC1CO1)O[Si](CCCOC(=O)C(=C)C)(OC)OC.
What is the InChIKey of [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate?
The InChIKey is PYSMAQTVOMJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O9Si/c1-18(2)22(24)29-13-8-11-20(10-7-12-28-16-21-17-31-21)32-33(26-5,27-6)15-9-14-30-23(25)19(3)4/h20-21H,1,3,7-17H2,2,4-6H3.
What are the key properties of [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate?
[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate has a molecular weight of 488.65 g/mol, XLogP of 3.21, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate is sourced from PubChem (CID 175369896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).