(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate

C19H34O5Si — CID 175706561

IUPAC(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate
SMILESCC[Si](CC)(CC)OC1CCCC(OC(C)=O)C=CCCOC(=O)C1
InChIInChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3
InChIKeyYTBQZFBDEHDIAH-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.37
Rot. Bonds6

About (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate

(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate (PubChem CID 175706561) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate.

Molecular Properties

Compound Name(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate
PubChem CID175706561
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate
SMILESCC[Si](CC)(CC)OC1CCCC(OC(C)=O)C=CCCOC(=O)C1
InChIInChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3
InChIKeyYTBQZFBDEHDIAH-UHFFFAOYSA-N
XLogP4.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate?
The IUPAC name of (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate (CID 175706561) is (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate.
What is the SMILES notation for (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate?
The canonical SMILES for (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate is CC[Si](CC)(CC)OC1CCCC(OC(C)=O)C=CCCOC(=O)C1.
What is the InChIKey of (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate?
The InChIKey is YTBQZFBDEHDIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3.
What are the key properties of (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate?
(12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate has a molecular weight of 370.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate is sourced from PubChem (CID 175706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).