3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate

C12H24O5Si — CID 59762876

IUPAC3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OCCC
InChIInChI=1S/C12H24O5Si/c1-6-8-17-18(14-4,15-5)10-7-9-16-12(13)11(2)3/h2,6-10H2,1,3-5H3
InChIKeyPSWWOUKGKMLFDX-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.15
Rot. Bonds10

About 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate

3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate (PubChem CID 59762876) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
PubChem CID59762876
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OCCC
InChIInChI=1S/C12H24O5Si/c1-6-8-17-18(14-4,15-5)10-7-9-16-12(13)11(2)3/h2,6-10H2,1,3-5H3
InChIKeyPSWWOUKGKMLFDX-UHFFFAOYSA-N
XLogP2.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
4-[1,1-diethoxyethoxy-methoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxybutyl 2-methylprop-2-enoate
CID 154119799
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
CID 139788654
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate (CID 59762876) is 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OCCC.
What is the InChIKey of 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is PSWWOUKGKMLFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-6-8-17-18(14-4,15-5)10-7-9-16-12(13)11(2)3/h2,6-10H2,1,3-5H3.
What are the key properties of 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate?
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 59762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).