(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one

C20H30O2Si — CID 10568454

IUPAC(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one
SMILESCC[Si](CC)(CC)OC1=C2CCC[C@]23C=CC=C[C@H](CC1)C3=O
InChIInChI=1S/C20H30O2Si/c1-4-23(5-2,6-3)22-18-13-12-16-10-7-8-14-20(19(16)21)15-9-11-17(18)20/h7-8,10,14,16H,4-6,9,11-13,15H2,1-3H3/t16-,20-/m1/s1
InChIKeySGMQYQGNSJHTSD-OXQOHEQNSA-N
MW330.54 g/mol
LogP5.54
Rot. Bonds5

About (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one

(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one (PubChem CID 10568454) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one.

Molecular Properties

Compound Name(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one
PubChem CID10568454
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one
SMILESCC[Si](CC)(CC)OC1=C2CCC[C@]23C=CC=C[C@H](CC1)C3=O
InChIInChI=1S/C20H30O2Si/c1-4-23(5-2,6-3)22-18-13-12-16-10-7-8-14-20(19(16)21)15-9-11-17(18)20/h7-8,10,14,16H,4-6,9,11-13,15H2,1-3H3/t16-,20-/m1/s1
InChIKeySGMQYQGNSJHTSD-OXQOHEQNSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one?
The IUPAC name of (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one (CID 10568454) is (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one.
What is the SMILES notation for (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one?
The canonical SMILES for (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one is CC[Si](CC)(CC)OC1=C2CCC[C@]23C=CC=C[C@H](CC1)C3=O.
What is the InChIKey of (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one?
The InChIKey is SGMQYQGNSJHTSD-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-4-23(5-2,6-3)22-18-13-12-16-10-7-8-14-20(19(16)21)15-9-11-17(18)20/h7-8,10,14,16H,4-6,9,11-13,15H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one?
(1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one has a molecular weight of 330.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S)-6-triethylsilyloxytricyclo[7.4.1.01,5]tetradeca-5,10,12-trien-14-one is sourced from PubChem (CID 10568454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).