1-trimethoxysilyldodecyl prop-2-enoate

C18H36O5Si — CID 175341849

IUPAC1-trimethoxysilyldodecyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-6-8-9-10-11-12-13-14-15-16-18(23-17(19)7-2)24(20-3,21-4)22-5/h7,18H,2,6,8-16H2,1,3-5H3
InChIKeyRFIVMAUMVBAUHT-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.42
Rot. Bonds16

About 1-trimethoxysilyldodecyl prop-2-enoate

1-trimethoxysilyldodecyl prop-2-enoate (PubChem CID 175341849) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 1-trimethoxysilyldodecyl prop-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilyldodecyl prop-2-enoate
PubChem CID175341849
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name1-trimethoxysilyldodecyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C18H36O5Si/c1-6-8-9-10-11-12-13-14-15-16-18(23-17(19)7-2)24(20-3,21-4)22-5/h7,18H,2,6,8-16H2,1,3-5H3
InChIKeyRFIVMAUMVBAUHT-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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

ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646
(3-methoxy-1-trimethoxysilylpropyl) prop-2-enoate
CID 174944570
heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
octadecan-6-yl prop-2-enoate
CID 91523695
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
tridecan-5-yl prop-2-enoate
CID 141073146
1-hydroxyoctyl prop-2-enoate
CID 22340227
1-(dimethylamino)decyl prop-2-enoate
CID 88815695
pentadecan-4-yl prop-2-enoate
CID 543287
1-iodotridecyl prop-2-enoate
CID 90218413
dodecan-3-yl prop-2-enoate
CID 543279

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilyldodecyl prop-2-enoate?
The IUPAC name of 1-trimethoxysilyldodecyl prop-2-enoate (CID 175341849) is 1-trimethoxysilyldodecyl prop-2-enoate.
What is the SMILES notation for 1-trimethoxysilyldodecyl prop-2-enoate?
The canonical SMILES for 1-trimethoxysilyldodecyl prop-2-enoate is C=CC(=O)OC(CCCCCCCCCCC)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilyldodecyl prop-2-enoate?
The InChIKey is RFIVMAUMVBAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-6-8-9-10-11-12-13-14-15-16-18(23-17(19)7-2)24(20-3,21-4)22-5/h7,18H,2,6,8-16H2,1,3-5H3.
What are the key properties of 1-trimethoxysilyldodecyl prop-2-enoate?
1-trimethoxysilyldodecyl prop-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.42, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilyldodecyl prop-2-enoate is sourced from PubChem (CID 175341849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).