[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane

C14H32O5Si — CID 158252465

IUPAC[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane
SMILESC.C.C=CC(=O)OCC(O)COCCC[Si](C)(C)OC
InChIInChI=1S/C12H24O5Si.2CH4/c1-5-12(14)17-10-11(13)9-16-7-6-8-18(3,4)15-2;;/h5,11,13H,1,6-10H2,2-4H3;2*1H4
InChIKeyGGWPQFPIVRHDTH-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.61
Rot. Bonds10

About [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane

[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane (PubChem CID 158252465) has the molecular formula C14H32O5Si and a molecular weight of 308.49 g/mol. Its IUPAC name is [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane.

Molecular Properties

Compound Name[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane
PubChem CID158252465
Molecular FormulaC14H32O5Si
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane
SMILESC.C.C=CC(=O)OCC(O)COCCC[Si](C)(C)OC
InChIInChI=1S/C12H24O5Si.2CH4/c1-5-12(14)17-10-11(13)9-16-7-6-8-18(3,4)15-2;;/h5,11,13H,1,6-10H2,2-4H3;2*1H4
InChIKeyGGWPQFPIVRHDTH-UHFFFAOYSA-N
XLogP2.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] propanoate
CID 123812223
[3-[3-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 123160039
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] prop-2-enoate
CID 22604997
[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)hexoxy]propyl] prop-2-enoate
CID 154601558
3-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 150144614
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
[3-(2-cyanoethoxy)-2-hydroxypropyl] prop-2-enoate
CID 15685476
[1-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3-hydroxypropan-2-yl] prop-2-enoate;[3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-hydroxypropyl] prop-2-enoate;[1-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-2-yl] prop-2-enoate;[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] prop-2-enoate;[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate;[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl] prop-2-enoate
CID 160781890
4-(3-chloro-2-hydroxypropoxy)butyl prop-2-enoate
CID 87737333
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane?
The IUPAC name of [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane (CID 158252465) is [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane.
What is the SMILES notation for [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane?
The canonical SMILES for [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane is C.C.C=CC(=O)OCC(O)COCCC[Si](C)(C)OC.
What is the InChIKey of [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane?
The InChIKey is GGWPQFPIVRHDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si.2CH4/c1-5-12(14)17-10-11(13)9-16-7-6-8-18(3,4)15-2;;/h5,11,13H,1,6-10H2,2-4H3;2*1H4.
What are the key properties of [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane?
[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane has a molecular weight of 308.49 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane is sourced from PubChem (CID 158252465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).