[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate

C12H24O4Si — CID 173042018

IUPAC[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](CCC)C(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-9-17(16-11(13)10(4)5)12(14-7-2)15-8-3/h12,17H,4,6-9H2,1-3,5H3
InChIKeyYRTQLCCSKHKUDV-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.18
Rot. Bonds9

About [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate

[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate (PubChem CID 173042018) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate
PubChem CID173042018
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](CCC)C(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-9-17(16-11(13)10(4)5)12(14-7-2)15-8-3/h12,17H,4,6-9H2,1-3,5H3
InChIKeyYRTQLCCSKHKUDV-UHFFFAOYSA-N
XLogP2.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,1-diethoxy-3-methylbut-3-en-2-one
CID 79495451
1-ethoxypentyl 2-methylprop-2-enoate
CID 118268254
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
[hydroxy(methyl)silyl] 2-methylprop-2-enoate
CID 173415248
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494

Frequently Asked Questions

What is the IUPAC name of [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate?
The IUPAC name of [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate (CID 173042018) is [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[SiH](CCC)C(OCC)OCC.
What is the InChIKey of [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate?
The InChIKey is YRTQLCCSKHKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-9-17(16-11(13)10(4)5)12(14-7-2)15-8-3/h12,17H,4,6-9H2,1-3,5H3.
What are the key properties of [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate?
[diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate has a molecular weight of 260.41 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxymethyl(propyl)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 173042018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).