12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate

C21H42O5Si — CID 23199559

IUPAC12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC[Si](OC)(OC)OCCC
InChIInChI=1S/C21H42O5Si/c1-6-17-26-27(23-4,24-5)19-16-14-12-10-8-7-9-11-13-15-18-25-21(22)20(2)3/h2,6-19H2,1,3-5H3
InChIKeyHQCNRBONXJHAJF-UHFFFAOYSA-N
MW402.65 g/mol
LogP5.66
Rot. Bonds19

About 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate

12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate (PubChem CID 23199559) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
PubChem CID23199559
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Name12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC[Si](OC)(OC)OCCC
InChIInChI=1S/C21H42O5Si/c1-6-17-26-27(23-4,24-5)19-16-14-12-10-8-7-9-11-13-15-18-25-21(22)20(2)3/h2,6-19H2,1,3-5H3
InChIKeyHQCNRBONXJHAJF-UHFFFAOYSA-N
XLogP5.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 55.66
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'}

Analyze 12-[dimethoxy(propoxy)silyl]dodecyl 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

3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
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
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
CID 140668251
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213

Frequently Asked Questions

What is the IUPAC name of 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate?
The IUPAC name of 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate (CID 23199559) is 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate?
The canonical SMILES for 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCC[Si](OC)(OC)OCCC.
What is the InChIKey of 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate?
The InChIKey is HQCNRBONXJHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-6-17-26-27(23-4,24-5)19-16-14-12-10-8-7-9-11-13-15-18-25-21(22)20(2)3/h2,6-19H2,1,3-5H3.
What are the key properties of 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate?
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate has a molecular weight of 402.65 g/mol, XLogP of 5.66, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 23199559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).