1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate

C9H18O4Si — CID 140540481

IUPAC1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)[Si](C)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-7(2)9(10)13-8(3)14(6,11-4)12-5/h8H,1H2,2-6H3
InChIKeyZPIALURLXTWPQK-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds5

About 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate

1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate (PubChem CID 140540481) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate
PubChem CID140540481
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)[Si](C)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-7(2)9(10)13-8(3)14(6,11-4)12-5/h8H,1H2,2-6H3
InChIKeyZPIALURLXTWPQK-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[dimethoxy(methyl)silyl]ethyl acetate
CID 88687093
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[methoxy(dimethyl)silyl] 2-methylprop-2-enoate
CID 87401455
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
[dimethyl-(trimethylsilylamino)silyl]methane;methyl 2-methylprop-2-enoate
CID 88602954
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-methoxysilylpropan-2-yl 2-methylprop-2-enoate
CID 154050270
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate (CID 140540481) is 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)[Si](C)(OC)OC.
What is the InChIKey of 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate?
The InChIKey is ZPIALURLXTWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-7(2)9(10)13-8(3)14(6,11-4)12-5/h8H,1H2,2-6H3.
What are the key properties of 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate?
1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 140540481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).