[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate

C13H28O5Si2 — CID 58512799

IUPAC[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CC[Si](C)(OC)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-11(2)13(15)17-10-12(14)8-9-20(7,16-3)18-19(4,5)6/h12,14H,1,8-10H2,2-7H3
InChIKeyLSYVRQPQSOVJSV-UHFFFAOYSA-N
MW320.53 g/mol
LogP2.43
Rot. Bonds9

About [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate

[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate (PubChem CID 58512799) has the molecular formula C13H28O5Si2 and a molecular weight of 320.53 g/mol. Its IUPAC name is [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
PubChem CID58512799
Molecular FormulaC13H28O5Si2
Molecular Weight320.53 g/mol
Exact Mass320.15
IUPAC Name[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CC[Si](C)(OC)O[Si](C)(C)C
InChIInChI=1S/C13H28O5Si2/c1-11(2)13(15)17-10-12(14)8-9-20(7,16-3)18-19(4,5)6/h12,14H,1,8-10H2,2-7H3
InChIKeyLSYVRQPQSOVJSV-UHFFFAOYSA-N
XLogP2.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate
CID 160516479
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
[2-hydroxy-3-[1-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate
CID 22134039
[2-hydroxy-3-[1-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate
CID 87222684
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate (CID 58512799) is [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CC[Si](C)(OC)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate?
The InChIKey is LSYVRQPQSOVJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si2/c1-11(2)13(15)17-10-12(14)8-9-20(7,16-3)18-19(4,5)6/h12,14H,1,8-10H2,2-7H3.
What are the key properties of [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate?
[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate has a molecular weight of 320.53 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58512799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).