ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate

C9H20O4Si — CID 87381259

IUPACethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C)(C)C.OCCO
InChIInChI=1S/C7H14O2Si.C2H6O2/c1-6(2)7(8)9-10(3,4)5;3-1-2-4/h1H2,2-5H3;3-4H,1-2H2
InChIKeyYFZXCEHRYFOAOP-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.91
Rot. Bonds3

About ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate

ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate (PubChem CID 87381259) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
PubChem CID87381259
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Nameethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C)(C)C.OCCO
InChIInChI=1S/C7H14O2Si.C2H6O2/c1-6(2)7(8)9-10(3,4)5;3-1-2-4/h1H2,2-5H3;3-4H,1-2H2
InChIKeyYFZXCEHRYFOAOP-UHFFFAOYSA-N
XLogP0.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
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

ethane-1,2-diol;2-methylprop-2-eneperoxoic acid
CID 87450882
tris(trimethylsilyloxy)silyl 2-methylprop-2-enoate
CID 23108290
trimethylsilyl 2-oxopropanoate
CID 554459
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
[methoxy(dimethyl)silyl] 2-methylprop-2-enoate
CID 87401455
ethanol;trimethoxysilyl 2-methylprop-2-enoate
CID 175501834
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
(methoxy-methyl-trimethylsilyloxysilyl) 2-methylprop-2-enoate
CID 54437979
trimethylsilyl 2-methylidenebut-3-enoate
CID 19933334
[2-(hydroxymethylsilyl)-1-trimethylsilyloxyethyl] 2-methylprop-2-enoate
CID 123576735

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate?
The IUPAC name of ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate (CID 87381259) is ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate?
The canonical SMILES for ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate is C=C(C)C(=O)O[Si](C)(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate?
The InChIKey is YFZXCEHRYFOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si.C2H6O2/c1-6(2)7(8)9-10(3,4)5;3-1-2-4/h1H2,2-5H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate?
ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate has a molecular weight of 220.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate is sourced from PubChem (CID 87381259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).