[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate

C15H30O6SSi — CID 58903352

IUPAC[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate
SMILESCO[Si](CCC1CCC(OC(=O)CCSC)C(O)C1)(OC)OC
InChIInChI=1S/C15H30O6SSi/c1-18-23(19-2,20-3)10-8-12-5-6-14(13(16)11-12)21-15(17)7-9-22-4/h12-14,16H,5-11H2,1-4H3
InChIKeyJZYFWDPZAOHRLH-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.08
Rot. Bonds10

About [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate

[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate (PubChem CID 58903352) has the molecular formula C15H30O6SSi and a molecular weight of 366.55 g/mol. Its IUPAC name is [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate.

Molecular Properties

Compound Name[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate
PubChem CID58903352
Molecular FormulaC15H30O6SSi
Molecular Weight366.55 g/mol
Exact Mass366.15
IUPAC Name[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate
SMILESCO[Si](CCC1CCC(OC(=O)CCSC)C(O)C1)(OC)OC
InChIInChI=1S/C15H30O6SSi/c1-18-23(19-2,20-3)10-8-12-5-6-14(13(16)11-12)21-15(17)7-9-22-4/h12-14,16H,5-11H2,1-4H3
InChIKeyJZYFWDPZAOHRLH-UHFFFAOYSA-N
XLogP2.08
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate?
The IUPAC name of [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate (CID 58903352) is [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate.
What is the SMILES notation for [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate?
The canonical SMILES for [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate is CO[Si](CCC1CCC(OC(=O)CCSC)C(O)C1)(OC)OC.
What is the InChIKey of [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate?
The InChIKey is JZYFWDPZAOHRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6SSi/c1-18-23(19-2,20-3)10-8-12-5-6-14(13(16)11-12)21-15(17)7-9-22-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate?
[2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate has a molecular weight of 366.55 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(2-trimethoxysilylethyl)cyclohexyl] 3-methylsulfanylpropanoate is sourced from PubChem (CID 58903352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).