[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate

C19H40O5Si3 — CID 54265207

IUPAC[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CC1O
InChIInChI=1S/C19H40O5Si3/c1-15(2)19(21)22-18-11-10-16(14-17(18)20)12-13-27(9,23-25(3,4)5)24-26(6,7)8/h16-18,20H,1,10-14H2,2-9H3
InChIKeyRGGPUNCYVPDYCJ-UHFFFAOYSA-N
MW432.78 g/mol
LogP4.80
Rot. Bonds9

About [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate

[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 54265207) has the molecular formula C19H40O5Si3 and a molecular weight of 432.78 g/mol. Its IUPAC name is [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID54265207
Molecular FormulaC19H40O5Si3
Molecular Weight432.78 g/mol
Exact Mass432.22
IUPAC Name[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CC1O
InChIInChI=1S/C19H40O5Si3/c1-15(2)19(21)22-18-11-10-16(14-17(18)20)12-13-27(9,23-25(3,4)5)24-26(6,7)8/h16-18,20H,1,10-14H2,2-9H3
InChIKeyRGGPUNCYVPDYCJ-UHFFFAOYSA-N
XLogP4.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.78
LogP ≤ 54.80
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

[4-[[Dimethyl(trimethylsilyloxy)silyl]methyl]-2-hydroxycyclohexyl] prop-2-enoate
CID 20459159
[4-[[Dimethyl(trimethylsilyloxy)silyl]methyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate
CID 20459161
[2-Hydroxy-4-[tris(trimethylsilyloxy)silylmethyl]cyclohexyl] prop-2-enoate
CID 20459163
[2-Hydroxy-4-[2-tris(trimethylsilyloxy)silylethyl]cyclohexyl] 2-methylprop-2-enoate
CID 20459166
[4-[2-[Dimethyl(trimethylsilyloxy)silyl]ethyl]-2-hydroxycyclohexyl] prop-2-enoate
CID 20459167
CID 20459174
CID 20459174
[2-Hydroxy-4-[tris(trimethylsilyloxy)silylmethyl]cyclohexyl] 2-methylprop-2-enoate
CID 20459176
[2-Hydroxy-4-[2-tris(trimethylsilyloxy)silylethyl]cyclohexyl] prop-2-enoate
CID 20459177
[2-Hydroxy-4-[4-tris(trimethylsilyloxy)silylbutyl]cyclohexyl] prop-2-enoate
CID 20459178
[2-Hydroxy-4-[3-tris(trimethylsilyloxy)silylpropyl]cyclohexyl] 2-methylprop-2-enoate
CID 20459179
[2-Hydroxy-3-[2-tris(trimethylsilyloxy)silylethyl]cyclohexyl] 2-methylprop-2-enoate
CID 20459181
[2-Hydroxy-4-[4-[methyl-bis(trimethylsilyloxy)silyl]butyl]cyclohexyl] 2-methylprop-2-enoate
CID 20459182

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate (CID 54265207) is [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CC1O.
What is the InChIKey of [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is RGGPUNCYVPDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si3/c1-15(2)19(21)22-18-11-10-16(14-17(18)20)12-13-27(9,23-25(3,4)5)24-26(6,7)8/h16-18,20H,1,10-14H2,2-9H3.
What are the key properties of [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate?
[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 432.78 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54265207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).