6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one

C17H30O2Si — CID 57306257

IUPAC6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
SMILESCC[Si](CC)(CC)OC1CCC=C(C)CCC=CC1=O
InChIInChI=1S/C17H30O2Si/c1-5-20(6-2,7-3)19-17-14-10-12-15(4)11-8-9-13-16(17)18/h9,12-13,17H,5-8,10-11,14H2,1-4H3
InChIKeyXVESNQGYASLBKK-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.02
Rot. Bonds5

About 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one

6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one (PubChem CID 57306257) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
PubChem CID57306257
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
SMILESCC[Si](CC)(CC)OC1CCC=C(C)CCC=CC1=O
InChIInChI=1S/C17H30O2Si/c1-5-20(6-2,7-3)19-17-14-10-12-15(4)11-8-9-13-16(17)18/h9,12-13,17H,5-8,10-11,14H2,1-4H3
InChIKeyXVESNQGYASLBKK-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one?
The IUPAC name of 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one (CID 57306257) is 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one.
What is the SMILES notation for 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one?
The canonical SMILES for 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one is CC[Si](CC)(CC)OC1CCC=C(C)CCC=CC1=O.
What is the InChIKey of 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one?
The InChIKey is XVESNQGYASLBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-5-20(6-2,7-3)19-17-14-10-12-15(4)11-8-9-13-16(17)18/h9,12-13,17H,5-8,10-11,14H2,1-4H3.
What are the key properties of 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one?
6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one has a molecular weight of 294.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one is sourced from PubChem (CID 57306257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).