13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate

C21H42O4Si — CID 150352297

IUPAC13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC[Si](CCC)(OC)OC
InChIInChI=1S/C21H42O4Si/c1-5-19-26(23-3,24-4)20-17-15-13-11-9-7-8-10-12-14-16-18-25-21(22)6-2/h6H,2,5,7-20H2,1,3-4H3
InChIKeyGTZIMAGXEFAGLA-UHFFFAOYSA-N
MW386.65 g/mol
LogP6.15
Rot. Bonds19

About 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate

13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate (PubChem CID 150352297) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate.

Molecular Properties

Compound Name13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
PubChem CID150352297
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC[Si](CCC)(OC)OC
InChIInChI=1S/C21H42O4Si/c1-5-19-26(23-3,24-4)20-17-15-13-11-9-7-8-10-12-14-16-18-25-21(22)6-2/h6H,2,5,7-20H2,1,3-4H3
InChIKeyGTZIMAGXEFAGLA-UHFFFAOYSA-N
XLogP6.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
8-[ethyl(dimethoxy)silyl]octyl prop-2-enoate
CID 140662216
3-[dipropoxy(propyl)silyl]propyl prop-2-enoate
CID 21432072
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
CID 141320580

Frequently Asked Questions

What is the IUPAC name of 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate?
The IUPAC name of 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate (CID 150352297) is 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate.
What is the SMILES notation for 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate?
The canonical SMILES for 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCC[Si](CCC)(OC)OC.
What is the InChIKey of 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate?
The InChIKey is GTZIMAGXEFAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-5-19-26(23-3,24-4)20-17-15-13-11-9-7-8-10-12-14-16-18-25-21(22)6-2/h6H,2,5,7-20H2,1,3-4H3.
What are the key properties of 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate?
13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate has a molecular weight of 386.65 g/mol, XLogP of 6.15, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate is sourced from PubChem (CID 150352297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).