4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate

C22H40O9Si — CID 154119799

IUPAC4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO[Si](CCCOC(=O)C(=C)C)(OC)OC(C)(OCC)OCC
InChIInChI=1S/C22H40O9Si/c1-9-28-22(7,29-10-2)31-32(25-8,17-13-15-27-21(24)19(5)6)30-16-12-11-14-26-20(23)18(3)4/h3,5,9-17H2,1-2,4,6-8H3
InChIKeyOGAFVEPGGSERTK-UHFFFAOYSA-N
MW476.64 g/mol
LogP3.76
Rot. Bonds19

About 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate

4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate (PubChem CID 154119799) has the molecular formula C22H40O9Si and a molecular weight of 476.64 g/mol. Its IUPAC name is 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
PubChem CID154119799
Molecular FormulaC22H40O9Si
Molecular Weight476.64 g/mol
Exact Mass476.24
IUPAC Name4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO[Si](CCCOC(=O)C(=C)C)(OC)OC(C)(OCC)OCC
InChIInChI=1S/C22H40O9Si/c1-9-28-22(7,29-10-2)31-32(25-8,17-13-15-27-21(24)19(5)6)30-16-12-11-14-26-20(23)18(3)4/h3,5,9-17H2,1-2,4,6-8H3
InChIKeyOGAFVEPGGSERTK-UHFFFAOYSA-N
XLogP3.76
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 53.76
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
CID 162204652
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate?
The IUPAC name of 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate (CID 154119799) is 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCO[Si](CCCOC(=O)C(=C)C)(OC)OC(C)(OCC)OCC.
What is the InChIKey of 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate?
The InChIKey is OGAFVEPGGSERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O9Si/c1-9-28-22(7,29-10-2)31-32(25-8,17-13-15-27-21(24)19(5)6)30-16-12-11-14-26-20(23)18(3)4/h3,5,9-17H2,1-2,4,6-8H3.
What are the key properties of 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate?
4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate has a molecular weight of 476.64 g/mol, XLogP of 3.76, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 154119799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).