[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate

C12H16O5Si — CID 175167916

IUPAC[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(O[SiH](OC)OC)c1ccccc1
InChIInChI=1S/C12H16O5Si/c1-4-11(13)16-12(17-18(14-2)15-3)10-8-6-5-7-9-10/h4-9,12,18H,1H2,2-3H3
InChIKeyDXEHFRBZBOQLTH-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.44
Rot. Bonds7

About [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate

[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate (PubChem CID 175167916) has the molecular formula C12H16O5Si and a molecular weight of 268.34 g/mol. Its IUPAC name is [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate.

Molecular Properties

Compound Name[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate
PubChem CID175167916
Molecular FormulaC12H16O5Si
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(O[SiH](OC)OC)c1ccccc1
InChIInChI=1S/C12H16O5Si/c1-4-11(13)16-12(17-18(14-2)15-3)10-8-6-5-7-9-10/h4-9,12,18H,1H2,2-3H3
InChIKeyDXEHFRBZBOQLTH-UHFFFAOYSA-N
XLogP1.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
CID 159520635
1-phenylethyl prop-2-enoate
CID 175321764
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
CID 15642603
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582
CID 171535342
CID 171535342
1-dimethoxysilylpropan-2-yl prop-2-enoate
CID 152752874
(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
CID 153394937
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441

Frequently Asked Questions

What is the IUPAC name of [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate?
The IUPAC name of [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate (CID 175167916) is [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate.
What is the SMILES notation for [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate?
The canonical SMILES for [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate is C=CC(=O)OC(O[SiH](OC)OC)c1ccccc1.
What is the InChIKey of [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate?
The InChIKey is DXEHFRBZBOQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5Si/c1-4-11(13)16-12(17-18(14-2)15-3)10-8-6-5-7-9-10/h4-9,12,18H,1H2,2-3H3.
What are the key properties of [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate?
[dimethoxysilyloxy(phenyl)methyl] prop-2-enoate has a molecular weight of 268.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxysilyloxy(phenyl)methyl] prop-2-enoate is sourced from PubChem (CID 175167916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).