ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene

C19H20O — CID 156745259

IUPACethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
SMILESCC.Cc1ccc2ccccc2cc2ccccc2o1
InChIInChI=1S/C17H14O.C2H6/c1-13-10-11-14-6-2-3-7-15(14)12-16-8-4-5-9-17(16)18-13;1-2/h2-12H,1H3;1-2H3/b13-10-,14-11-,15-12-;
InChIKeyUEBVSYCSLFELMW-FYNGWTJOSA-N
MW264.37 g/mol
LogP6.05
Rot. Bonds

About ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene

ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene (PubChem CID 156745259) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene.

Molecular Properties

Compound Nameethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
PubChem CID156745259
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Nameethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
SMILESCC.Cc1ccc2ccccc2cc2ccccc2o1
InChIInChI=1S/C17H14O.C2H6/c1-13-10-11-14-6-2-3-7-15(14)12-16-8-4-5-9-17(16)18-13;1-2/h2-12H,1H3;1-2H3/b13-10-,14-11-,15-12-;
InChIKeyUEBVSYCSLFELMW-FYNGWTJOSA-N
XLogP6.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene?
The IUPAC name of ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene (CID 156745259) is ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene.
What is the SMILES notation for ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene?
The canonical SMILES for ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene is CC.Cc1ccc2ccccc2cc2ccccc2o1.
What is the InChIKey of ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene?
The InChIKey is UEBVSYCSLFELMW-FYNGWTJOSA-N. The full InChI is InChI=1S/C17H14O.C2H6/c1-13-10-11-14-6-2-3-7-15(14)12-16-8-4-5-9-17(16)18-13;1-2/h2-12H,1H3;1-2H3/b13-10-,14-11-,15-12-;.
What are the key properties of ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene?
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene has a molecular weight of 264.37 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene is sourced from PubChem (CID 156745259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).