[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate

C17H38O5Si3 — CID 160516479

IUPAC[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CC[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-10-12-25(21-23(4,5)6,22-24(7,8)9)13-11-16(18)14-20-17(19)15(2)3/h16,18H,2,10-14H2,1,3-9H3
InChIKeyQTSLLKUJBRQNCP-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.41
Rot. Bonds12

About [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate

[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate (PubChem CID 160516479) has the molecular formula C17H38O5Si3 and a molecular weight of 406.74 g/mol. Its IUPAC name is [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate
PubChem CID160516479
Molecular FormulaC17H38O5Si3
Molecular Weight406.74 g/mol
Exact Mass406.20
IUPAC Name[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CC[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-10-12-25(21-23(4,5)6,22-24(7,8)9)13-11-16(18)14-20-17(19)15(2)3/h16,18H,2,10-14H2,1,3-9H3
InChIKeyQTSLLKUJBRQNCP-UHFFFAOYSA-N
XLogP4.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.41
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-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
CID 58512799
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
[2-hydroxy-3-[1-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate
CID 87222684
[2-hydroxy-3-[1-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate
CID 22134039
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
diethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-methylazanium chloride
CID 19800674

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate (CID 160516479) is [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CC[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate?
The InChIKey is QTSLLKUJBRQNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O5Si3/c1-10-12-25(21-23(4,5)6,22-24(7,8)9)13-11-16(18)14-20-17(19)15(2)3/h16,18H,2,10-14H2,1,3-9H3.
What are the key properties of [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate?
[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate has a molecular weight of 406.74 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 160516479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).