(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one

C21H20O2Si — CID 42618311

IUPAC(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one
SMILESCOc1ccc#cc2c(c([Si](C)(C)C)cc1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H20O2Si/c1-23-15-9-5-6-11-17-16-10-7-8-12-18(16)21(22)20(17)19(14-13-15)24(2,3)4/h5,7-10,12-14H,1-4H3/b9-5-,14-13-,15-9+,15-13+,19-14+,20-19-
InChIKeySMBHCLKORNUVFK-YCXKGNRDSA-N
MW332.48 g/mol
LogP4.18
Rot. Bonds2

About (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one

(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one (PubChem CID 42618311) has the molecular formula C21H20O2Si and a molecular weight of 332.48 g/mol. Its IUPAC name is (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one.

Molecular Properties

Compound Name(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one
PubChem CID42618311
Molecular FormulaC21H20O2Si
Molecular Weight332.48 g/mol
Exact Mass332.12
IUPAC Name(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one
SMILESCOc1ccc#cc2c(c([Si](C)(C)C)cc1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H20O2Si/c1-23-15-9-5-6-11-17-16-10-7-8-12-18(16)21(22)20(17)19(14-13-15)24(2,3)4/h5,7-10,12-14H,1-4H3/b9-5-,14-13-,15-9+,15-13+,19-14+,20-19-
InChIKeySMBHCLKORNUVFK-YCXKGNRDSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one?
The IUPAC name of (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one (CID 42618311) is (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one.
What is the SMILES notation for (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one?
The canonical SMILES for (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one is COc1ccc#cc2c(c([Si](C)(C)C)cc1)C(=O)c1ccccc1-2.
What is the InChIKey of (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one?
The InChIKey is SMBHCLKORNUVFK-YCXKGNRDSA-N. The full InChI is InChI=1S/C21H20O2Si/c1-23-15-9-5-6-11-17-16-10-7-8-12-18(16)21(22)20(17)19(14-13-15)24(2,3)4/h5,7-10,12-14H,1-4H3/b9-5-,14-13-,15-9+,15-13+,19-14+,20-19-.
What are the key properties of (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one?
(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one has a molecular weight of 332.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one is sourced from PubChem (CID 42618311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).