3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate

C13H24O6Si — CID 175429463

IUPAC3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OCCC1CO1
InChIInChI=1S/C13H24O6Si/c1-11(2)13(14)17-7-5-9-20(15-3,16-4)19-8-6-12-10-18-12/h12H,1,5-10H2,2-4H3
InChIKeyIWBNDAHPDLTVNE-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.53
Rot. Bonds11

About 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate

3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate (PubChem CID 175429463) has the molecular formula C13H24O6Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
PubChem CID175429463
Molecular FormulaC13H24O6Si
Molecular Weight304.42 g/mol
Exact Mass304.13
IUPAC Name3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OCCC1CO1
InChIInChI=1S/C13H24O6Si/c1-11(2)13(14)17-7-5-9-20(15-3,16-4)19-8-6-12-10-18-12/h12H,1,5-10H2,2-4H3
InChIKeyIWBNDAHPDLTVNE-UHFFFAOYSA-N
XLogP1.53
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.53
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
CID 175369896
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
CID 154119799
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
CID 139788654
methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 158389436

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate (CID 175429463) is 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OCCC1CO1.
What is the InChIKey of 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate?
The InChIKey is IWBNDAHPDLTVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6Si/c1-11(2)13(14)17-7-5-9-20(15-3,16-4)19-8-6-12-10-18-12/h12H,1,5-10H2,2-4H3.
What are the key properties of 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate?
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate has a molecular weight of 304.42 g/mol, XLogP of 1.53, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175429463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).