11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene

C15H16O — CID 10965837

IUPAC11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene
SMILESCc1ccc(C)c2c1CCc1ccoc1C2
InChIInChI=1S/C15H16O/c1-10-3-4-11(2)14-9-15-12(7-8-16-15)5-6-13(10)14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJRTMWUAPYIQOCH-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.59
Rot. Bonds

About 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene

11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene (PubChem CID 10965837) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene.

Molecular Properties

Compound Name11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene
PubChem CID10965837
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene
SMILESCc1ccc(C)c2c1CCc1ccoc1C2
InChIInChI=1S/C15H16O/c1-10-3-4-11(2)14-9-15-12(7-8-16-15)5-6-13(10)14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJRTMWUAPYIQOCH-UHFFFAOYSA-N
XLogP3.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene?
The IUPAC name of 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene (CID 10965837) is 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene.
What is the SMILES notation for 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene?
The canonical SMILES for 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene is Cc1ccc(C)c2c1CCc1ccoc1C2.
What is the InChIKey of 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene?
The InChIKey is JRTMWUAPYIQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10-3-4-11(2)14-9-15-12(7-8-16-15)5-6-13(10)14/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene?
11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene has a molecular weight of 212.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaene is sourced from PubChem (CID 10965837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).