silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate

C10H20O5Si — CID 173268506

IUPACsilyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate
SMILESC=C(C)COCC(OC)(OCC)C(=O)O[SiH3]
InChIInChI=1S/C10H20O5Si/c1-5-14-10(12-4,9(11)15-16)7-13-6-8(2)3/h2,5-7H2,1,3-4,16H3
InChIKeyWINWFJIKAURHNG-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.22
Rot. Bonds8

About silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate

silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate (PubChem CID 173268506) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate.

Molecular Properties

Compound Namesilyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate
PubChem CID173268506
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Namesilyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate
SMILESC=C(C)COCC(OC)(OCC)C(=O)O[SiH3]
InChIInChI=1S/C10H20O5Si/c1-5-14-10(12-4,9(11)15-16)7-13-6-8(2)3/h2,5-7H2,1,3-4,16H3
InChIKeyWINWFJIKAURHNG-UHFFFAOYSA-N
XLogP-0.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.22
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1,1-diethoxy-2-(2-methylprop-2-enoxy)ethyl]silane
CID 173011570
[2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoyl] 2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoate
CID 88827992
ethyl 2,2,3-triethoxypropanoate
CID 175005029
3,3-diethoxy-2-methylidenepentanoic acid
CID 87403796
3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
CID 161479464
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
(1,1-diethoxy-2-methylprop-2-enyl)silane
CID 123449550
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643
dimethyl 2-ethyl-2-(2-methylprop-2-enyl)propanedioate
CID 59309466
2-methylprop-2-enoxymethylsilane
CID 173027266
3-(2-methylprop-2-enoxy)-2-[[3-(2-methylprop-2-enoxy)-2,2-bis(2-methylprop-2-enoxymethyl)propoxy]methyl]-2-(2-methylprop-2-enoxymethyl)propan-1-ol
CID 139935126
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994

Frequently Asked Questions

What is the IUPAC name of silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate?
The IUPAC name of silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate (CID 173268506) is silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate.
What is the SMILES notation for silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate?
The canonical SMILES for silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate is C=C(C)COCC(OC)(OCC)C(=O)O[SiH3].
What is the InChIKey of silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate?
The InChIKey is WINWFJIKAURHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-5-14-10(12-4,9(11)15-16)7-13-6-8(2)3/h2,5-7H2,1,3-4,16H3.
What are the key properties of silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate?
silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate has a molecular weight of 248.35 g/mol, XLogP of -0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-ethoxy-2-methoxy-3-(2-methylprop-2-enoxy)propanoate is sourced from PubChem (CID 173268506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).