acetic acid;ethenyl 11-trimethoxysilylundecanoate

C18H36O7Si — CID 174383709

IUPACacetic acid;ethenyl 11-trimethoxysilylundecanoate
SMILESC=COC(=O)CCCCCCCCCC[Si](OC)(OC)OC.CC(=O)O
InChIInChI=1S/C16H32O5Si.C2H4O2/c1-5-21-16(17)14-12-10-8-6-7-9-11-13-15-22(18-2,19-3)20-4;1-2(3)4/h5H,1,6-15H2,2-4H3;1H3,(H,3,4)
InChIKeyWLCJWMMXOROCIT-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.15
Rot. Bonds15

About acetic acid;ethenyl 11-trimethoxysilylundecanoate

acetic acid;ethenyl 11-trimethoxysilylundecanoate (PubChem CID 174383709) has the molecular formula C18H36O7Si and a molecular weight of 392.57 g/mol. Its IUPAC name is acetic acid;ethenyl 11-trimethoxysilylundecanoate.

Molecular Properties

Compound Nameacetic acid;ethenyl 11-trimethoxysilylundecanoate
PubChem CID174383709
Molecular FormulaC18H36O7Si
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Nameacetic acid;ethenyl 11-trimethoxysilylundecanoate
SMILESC=COC(=O)CCCCCCCCCC[Si](OC)(OC)OC.CC(=O)O
InChIInChI=1S/C16H32O5Si.C2H4O2/c1-5-21-16(17)14-12-10-8-6-7-9-11-13-15-22(18-2,19-3)20-4;1-2(3)4/h5H,1,6-15H2,2-4H3;1H3,(H,3,4)
InChIKeyWLCJWMMXOROCIT-UHFFFAOYSA-N
XLogP4.15
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
acetic acid;ethenyl octadecanoate
CID 87067593
bis(ethenyl) hexanedioate
CID 19997
acetic acid;ethenyl 18-methylnonadecanoate
CID 174796049
acetic acid;ethenyl 16,16-dimethylheptadecanoate
CID 174796170
acetic acid;ethenyl 23,23-dimethyltetracosanoate
CID 174796140
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
ethenyl henpentacontanoate
CID 139683011
ethenyl heptatriacontanoate
CID 139682782
ethenyl octacosanoate
CID 54439588

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenyl 11-trimethoxysilylundecanoate?
The IUPAC name of acetic acid;ethenyl 11-trimethoxysilylundecanoate (CID 174383709) is acetic acid;ethenyl 11-trimethoxysilylundecanoate.
What is the SMILES notation for acetic acid;ethenyl 11-trimethoxysilylundecanoate?
The canonical SMILES for acetic acid;ethenyl 11-trimethoxysilylundecanoate is C=COC(=O)CCCCCCCCCC[Si](OC)(OC)OC.CC(=O)O.
What is the InChIKey of acetic acid;ethenyl 11-trimethoxysilylundecanoate?
The InChIKey is WLCJWMMXOROCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si.C2H4O2/c1-5-21-16(17)14-12-10-8-6-7-9-11-13-15-22(18-2,19-3)20-4;1-2(3)4/h5H,1,6-15H2,2-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethenyl 11-trimethoxysilylundecanoate?
acetic acid;ethenyl 11-trimethoxysilylundecanoate has a molecular weight of 392.57 g/mol, XLogP of 4.15, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenyl 11-trimethoxysilylundecanoate is sourced from PubChem (CID 174383709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).