3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate

C12H20O7Si — CID 173267989

IUPAC3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)O[SiH](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O7Si/c1-8(2)12(15)16-7-6-9(3)17-20(18-10(4)13)19-11(5)14/h9,20H,1,6-7H2,2-5H3
InChIKeyGXAIHLLHPKWLJY-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.74
Rot. Bonds8

About 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate

3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate (PubChem CID 173267989) has the molecular formula C12H20O7Si and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate
PubChem CID173267989
Molecular FormulaC12H20O7Si
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)O[SiH](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H20O7Si/c1-8(2)12(15)16-7-6-9(3)17-20(18-10(4)13)19-11(5)14/h9,20H,1,6-7H2,2-5H3
InChIKeyGXAIHLLHPKWLJY-UHFFFAOYSA-N
XLogP0.74
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
3-(2-silyloxyethoxy)butyl 2-methylprop-2-enoate
CID 173268327
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
3-pent-4-enoxybutyl 2-methylprop-2-enoate
CID 141278484
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate
CID 170780631
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
tris(trimethyl-[4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium);phosphate
CID 174564236
2-dimethylarsanylethyl 2-methylprop-2-enoate
CID 87191612

Frequently Asked Questions

What is the IUPAC name of 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate?
The IUPAC name of 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate (CID 173267989) is 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)O[SiH](OC(C)=O)OC(C)=O.
What is the InChIKey of 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate?
The InChIKey is GXAIHLLHPKWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7Si/c1-8(2)12(15)16-7-6-9(3)17-20(18-10(4)13)19-11(5)14/h9,20H,1,6-7H2,2-5H3.
What are the key properties of 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate?
3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate has a molecular weight of 304.37 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 173267989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).