3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate

C9H18O4Si — CID 140965642

IUPAC3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(O)OC
InChIInChI=1S/C9H18O4Si/c1-8(2)9(10)13-6-5-7-14(4,11)12-3/h11H,1,5-7H2,2-4H3
InChIKeyLUUJYQAHPPSAHL-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.21
Rot. Bonds6

About 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate

3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate (PubChem CID 140965642) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
PubChem CID140965642
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(O)OC
InChIInChI=1S/C9H18O4Si/c1-8(2)9(10)13-6-5-7-14(4,11)12-3/h11H,1,5-7H2,2-4H3
InChIKeyLUUJYQAHPPSAHL-UHFFFAOYSA-N
XLogP1.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002
3-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140912977
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
3-[methyl-bis(methylperoxy)silyl]propyl 2-methylprop-2-enoate
CID 141453327
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[3-[2-[dimethoxy(methyl)silyl]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 171586980
3-[2-[dimethoxy(methyl)silyl]ethoxy]propyl 2-methylprop-2-enoate
CID 171586989

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate (CID 140965642) is 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(O)OC.
What is the InChIKey of 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate?
The InChIKey is LUUJYQAHPPSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-8(2)9(10)13-6-5-7-14(4,11)12-3/h11H,1,5-7H2,2-4H3.
What are the key properties of 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate?
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 140965642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).