11-trimethoxysilylundecyl but-2-enoate

C18H36O5Si — CID 141363372

IUPAC11-trimethoxysilylundecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-5-15-18(19)23-16-13-11-9-7-6-8-10-12-14-17-24(20-2,21-3)22-4/h5,15H,6-14,16-17H2,1-4H3
InChIKeyYPHZVVGQDLGFBK-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.49
Rot. Bonds16

About 11-trimethoxysilylundecyl but-2-enoate

11-trimethoxysilylundecyl but-2-enoate (PubChem CID 141363372) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 11-trimethoxysilylundecyl but-2-enoate.

Molecular Properties

Compound Name11-trimethoxysilylundecyl but-2-enoate
PubChem CID141363372
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name11-trimethoxysilylundecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-5-15-18(19)23-16-13-11-9-7-6-8-10-12-14-17-24(20-2,21-3)22-4/h5,15H,6-14,16-17H2,1-4H3
InChIKeyYPHZVVGQDLGFBK-UHFFFAOYSA-N
XLogP4.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.49
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

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
4-trifluorosilylbutyl but-2-enoate
CID 174106149
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
8-trichlorosilyloctyl but-2-enoate
CID 174105922
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-[tris(2,2-dimethylpropoxy)silyl]octyl but-2-enoate
CID 155797348
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044

Frequently Asked Questions

What is the IUPAC name of 11-trimethoxysilylundecyl but-2-enoate?
The IUPAC name of 11-trimethoxysilylundecyl but-2-enoate (CID 141363372) is 11-trimethoxysilylundecyl but-2-enoate.
What is the SMILES notation for 11-trimethoxysilylundecyl but-2-enoate?
The canonical SMILES for 11-trimethoxysilylundecyl but-2-enoate is CC=CC(=O)OCCCCCCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of 11-trimethoxysilylundecyl but-2-enoate?
The InChIKey is YPHZVVGQDLGFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-5-15-18(19)23-16-13-11-9-7-6-8-10-12-14-17-24(20-2,21-3)22-4/h5,15H,6-14,16-17H2,1-4H3.
What are the key properties of 11-trimethoxysilylundecyl but-2-enoate?
11-trimethoxysilylundecyl but-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.49, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-trimethoxysilylundecyl but-2-enoate is sourced from PubChem (CID 141363372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).