1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate

C18H36O5Si — CID 22715444

IUPAC1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-7-8-9-10-11-12-13-17(23-18(19)16(2)3)14-15-24(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3
InChIKeyBIAPKRBGDXJDPE-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.49
Rot. Bonds15

About 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate

1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate (PubChem CID 22715444) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
PubChem CID22715444
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-7-8-9-10-11-12-13-17(23-18(19)16(2)3)14-15-24(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3
InChIKeyBIAPKRBGDXJDPE-UHFFFAOYSA-N
XLogP4.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
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

pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
CID 175175896
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
1-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
1-(butyl-ethyl-pentoxysilyl)heptan-3-yl 2-methylprop-2-enoate
CID 175083840
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate (CID 22715444) is 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCC)CC[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate?
The InChIKey is BIAPKRBGDXJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-7-8-9-10-11-12-13-17(23-18(19)16(2)3)14-15-24(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3.
What are the key properties of 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate?
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.49, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 22715444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).