(7-triethylsilyloxycyclododecyl) acetate

C20H40O3Si — CID 67068094

IUPAC(7-triethylsilyloxycyclododecyl) acetate
SMILESCC[Si](CC)(CC)OC1CCCCCC(OC(C)=O)CCCCC1
InChIInChI=1S/C20H40O3Si/c1-5-24(6-2,7-3)23-20-16-12-8-10-14-19(22-18(4)21)15-11-9-13-17-20/h19-20H,5-17H2,1-4H3
InChIKeyPMCQWTFLOMMODC-UHFFFAOYSA-N
MW356.62 g/mol
LogP6.22
Rot. Bonds6

About (7-triethylsilyloxycyclododecyl) acetate

(7-triethylsilyloxycyclododecyl) acetate (PubChem CID 67068094) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is (7-triethylsilyloxycyclododecyl) acetate.

Molecular Properties

Compound Name(7-triethylsilyloxycyclododecyl) acetate
PubChem CID67068094
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name(7-triethylsilyloxycyclododecyl) acetate
SMILESCC[Si](CC)(CC)OC1CCCCCC(OC(C)=O)CCCCC1
InChIInChI=1S/C20H40O3Si/c1-5-24(6-2,7-3)23-20-16-12-8-10-14-19(22-18(4)21)15-11-9-13-17-20/h19-20H,5-17H2,1-4H3
InChIKeyPMCQWTFLOMMODC-UHFFFAOYSA-N
XLogP6.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.22
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 (7-triethylsilyloxycyclododecyl) acetate?
The IUPAC name of (7-triethylsilyloxycyclododecyl) acetate (CID 67068094) is (7-triethylsilyloxycyclododecyl) acetate.
What is the SMILES notation for (7-triethylsilyloxycyclododecyl) acetate?
The canonical SMILES for (7-triethylsilyloxycyclododecyl) acetate is CC[Si](CC)(CC)OC1CCCCCC(OC(C)=O)CCCCC1.
What is the InChIKey of (7-triethylsilyloxycyclododecyl) acetate?
The InChIKey is PMCQWTFLOMMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-5-24(6-2,7-3)23-20-16-12-8-10-14-19(22-18(4)21)15-11-9-13-17-20/h19-20H,5-17H2,1-4H3.
What are the key properties of (7-triethylsilyloxycyclododecyl) acetate?
(7-triethylsilyloxycyclododecyl) acetate has a molecular weight of 356.62 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-triethylsilyloxycyclododecyl) acetate is sourced from PubChem (CID 67068094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).