(6-triethylsilyloxycyclododec-4-en-1-yl) acetate

C20H38O3Si — CID 67068118

IUPAC(6-triethylsilyloxycyclododec-4-en-1-yl) acetate
SMILESCC[Si](CC)(CC)OC1C=CCCC(OC(C)=O)CCCCCC1
InChIInChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3
InChIKeyJGZJPLKZEIPGBV-UHFFFAOYSA-N
MW354.61 g/mol
LogP6.00
Rot. Bonds6

About (6-triethylsilyloxycyclododec-4-en-1-yl) acetate

(6-triethylsilyloxycyclododec-4-en-1-yl) acetate (PubChem CID 67068118) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (6-triethylsilyloxycyclododec-4-en-1-yl) acetate.

Molecular Properties

Compound Name(6-triethylsilyloxycyclododec-4-en-1-yl) acetate
PubChem CID67068118
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(6-triethylsilyloxycyclododec-4-en-1-yl) acetate
SMILESCC[Si](CC)(CC)OC1C=CCCC(OC(C)=O)CCCCCC1
InChIInChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3
InChIKeyJGZJPLKZEIPGBV-UHFFFAOYSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-triethylsilyloxycyclododec-4-en-1-yl) acetate?
The IUPAC name of (6-triethylsilyloxycyclododec-4-en-1-yl) acetate (CID 67068118) is (6-triethylsilyloxycyclododec-4-en-1-yl) acetate.
What is the SMILES notation for (6-triethylsilyloxycyclododec-4-en-1-yl) acetate?
The canonical SMILES for (6-triethylsilyloxycyclododec-4-en-1-yl) acetate is CC[Si](CC)(CC)OC1C=CCCC(OC(C)=O)CCCCCC1.
What is the InChIKey of (6-triethylsilyloxycyclododec-4-en-1-yl) acetate?
The InChIKey is JGZJPLKZEIPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3.
What are the key properties of (6-triethylsilyloxycyclododec-4-en-1-yl) acetate?
(6-triethylsilyloxycyclododec-4-en-1-yl) acetate has a molecular weight of 354.61 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-triethylsilyloxycyclododec-4-en-1-yl) acetate is sourced from PubChem (CID 67068118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).