trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate

C14H30O3Si2 — CID 91696633

IUPACtrimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OCC1CCCCC1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O3Si2/c1-18(2,3)16-11-12-9-7-8-10-13(12)14(15)17-19(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyJZCVKGJSCSSHSB-UHFFFAOYSA-N
MW302.56 g/mol
LogP4.02
Rot. Bonds5

About trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate

trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate (PubChem CID 91696633) has the molecular formula C14H30O3Si2 and a molecular weight of 302.56 g/mol. Its IUPAC name is trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate
PubChem CID91696633
Molecular FormulaC14H30O3Si2
Molecular Weight302.56 g/mol
Exact Mass302.17
IUPAC Nametrimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate
SMILESC[Si](C)(C)OCC1CCCCC1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O3Si2/c1-18(2,3)16-11-12-9-7-8-10-13(12)14(15)17-19(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyJZCVKGJSCSSHSB-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate?
The IUPAC name of trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate (CID 91696633) is trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate?
The canonical SMILES for trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate is C[Si](C)(C)OCC1CCCCC1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate?
The InChIKey is JZCVKGJSCSSHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si2/c1-18(2,3)16-11-12-9-7-8-10-13(12)14(15)17-19(4,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate?
trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate has a molecular weight of 302.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(trimethylsilyloxymethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 91696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).