[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate

C18H22O11Si — CID 141300049

IUPAC[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(OC(=O)C=C)O[Si](=O)OC(CCOC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C18H22O11Si/c1-5-13(19)24-11-9-17(26-15(21)7-3)28-30(23)29-18(27-16(22)8-4)10-12-25-14(20)6-2/h5-8,17-18H,1-4,9-12H2
InChIKeyJDTTUFGIXWSPSB-UHFFFAOYSA-N
MW442.45 g/mol
LogP0.78
Rot. Bonds16

About [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate

[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 141300049) has the molecular formula C18H22O11Si and a molecular weight of 442.45 g/mol. Its IUPAC name is [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID141300049
Molecular FormulaC18H22O11Si
Molecular Weight442.45 g/mol
Exact Mass442.09
IUPAC Name[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(OC(=O)C=C)O[Si](=O)OC(CCOC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C18H22O11Si/c1-5-13(19)24-11-9-17(26-15(21)7-3)28-30(23)29-18(27-16(22)8-4)10-12-25-14(20)6-2/h5-8,17-18H,1-4,9-12H2
InChIKeyJDTTUFGIXWSPSB-UHFFFAOYSA-N
XLogP0.78
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
chlorosilane;3,3-dichloropropyl prop-2-enoate
CID 173094575
3-prop-2-enoyloxypropane-1,1-disulfonic acid
CID 87960716
(4-hydroxy-3-methyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19429006
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(3-chloro-4-hydroxybutyl) prop-2-enoate
CID 88836729
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
3,4-dichlorobutyl prop-2-enoate
CID 139672825

Frequently Asked Questions

What is the IUPAC name of [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 141300049) is [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCCC(OC(=O)C=C)O[Si](=O)OC(CCOC(=O)C=C)OC(=O)C=C.
What is the InChIKey of [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is JDTTUFGIXWSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O11Si/c1-5-13(19)24-11-9-17(26-15(21)7-3)28-30(23)29-18(27-16(22)8-4)10-12-25-14(20)6-2/h5-8,17-18H,1-4,9-12H2.
What are the key properties of [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate?
[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 442.45 g/mol, XLogP of 0.78, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 141300049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).