9-tripropoxysilylnonyl 2-methylprop-2-enoate

C22H44O5Si — CID 170637686

IUPAC9-tripropoxysilylnonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O5Si/c1-6-16-25-28(26-17-7-2,27-18-8-3)20-15-13-11-9-10-12-14-19-24-22(23)21(4)5/h4,6-20H2,1-3,5H3
InChIKeyBDWWNDRBFYGCTP-UHFFFAOYSA-N
MW416.68 g/mol
LogP6.06
Rot. Bonds20

About 9-tripropoxysilylnonyl 2-methylprop-2-enoate

9-tripropoxysilylnonyl 2-methylprop-2-enoate (PubChem CID 170637686) has the molecular formula C22H44O5Si and a molecular weight of 416.68 g/mol. Its IUPAC name is 9-tripropoxysilylnonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name9-tripropoxysilylnonyl 2-methylprop-2-enoate
PubChem CID170637686
Molecular FormulaC22H44O5Si
Molecular Weight416.68 g/mol
Exact Mass416.30
IUPAC Name9-tripropoxysilylnonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O5Si/c1-6-16-25-28(26-17-7-2,27-18-8-3)20-15-13-11-9-10-12-14-19-24-22(23)21(4)5/h4,6-20H2,1-3,5H3
InChIKeyBDWWNDRBFYGCTP-UHFFFAOYSA-N
XLogP6.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 56.06
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
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348

Frequently Asked Questions

What is the IUPAC name of 9-tripropoxysilylnonyl 2-methylprop-2-enoate?
The IUPAC name of 9-tripropoxysilylnonyl 2-methylprop-2-enoate (CID 170637686) is 9-tripropoxysilylnonyl 2-methylprop-2-enoate.
What is the SMILES notation for 9-tripropoxysilylnonyl 2-methylprop-2-enoate?
The canonical SMILES for 9-tripropoxysilylnonyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCC[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of 9-tripropoxysilylnonyl 2-methylprop-2-enoate?
The InChIKey is BDWWNDRBFYGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5Si/c1-6-16-25-28(26-17-7-2,27-18-8-3)20-15-13-11-9-10-12-14-19-24-22(23)21(4)5/h4,6-20H2,1-3,5H3.
What are the key properties of 9-tripropoxysilylnonyl 2-methylprop-2-enoate?
9-tripropoxysilylnonyl 2-methylprop-2-enoate has a molecular weight of 416.68 g/mol, XLogP of 6.06, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tripropoxysilylnonyl 2-methylprop-2-enoate is sourced from PubChem (CID 170637686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).