[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate

C17H20O5Si — CID 163406049

IUPAC[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO[Si](OC)(OC)c1cccc2ccccc12
InChIInChI=1S/C17H20O5Si/c1-13(2)17(18)21-12-22-23(19-3,20-4)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,1,12H2,2-4H3
InChIKeyZQDMSRMZHWNOSD-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds7

About [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate

[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate (PubChem CID 163406049) has the molecular formula C17H20O5Si and a molecular weight of 332.43 g/mol. Its IUPAC name is [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate
PubChem CID163406049
Molecular FormulaC17H20O5Si
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO[Si](OC)(OC)c1cccc2ccccc12
InChIInChI=1S/C17H20O5Si/c1-13(2)17(18)21-12-22-23(19-3,20-4)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,1,12H2,2-4H3
InChIKeyZQDMSRMZHWNOSD-UHFFFAOYSA-N
XLogP2.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
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

3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
methoxy-naphthalen-1-yl-dipropoxysilane
CID 140892673
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
(2-anthracen-9-yl-2-oxoethyl) 2-methylprop-2-enoate
CID 158316032
[methoxy(diphenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629625
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
CID 129174161
2-methylprop-2-enoyloxymethyl 6,7-dihydroxynaphthalene-1-carboxylate
CID 129174183
bis(acetyloxymethyl 2-methylprop-2-enoate);toluene
CID 158484803
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate?
The IUPAC name of [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate (CID 163406049) is [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate?
The canonical SMILES for [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCO[Si](OC)(OC)c1cccc2ccccc12.
What is the InChIKey of [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate?
The InChIKey is ZQDMSRMZHWNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5Si/c1-13(2)17(18)21-12-22-23(19-3,20-4)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,1,12H2,2-4H3.
What are the key properties of [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate?
[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate has a molecular weight of 332.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 163406049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).