13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene

C15H16O — CID 23425036

IUPAC13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
SMILESCc1ccc2c(c1C)Cc1occc1CC2
InChIInChI=1S/C15H16O/c1-10-3-4-12-5-6-13-7-8-16-15(13)9-14(12)11(10)2/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyMNDUESJSVMCJBR-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.59
Rot. Bonds

About 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene

13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene (PubChem CID 23425036) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene.

Molecular Properties

Compound Name13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
PubChem CID23425036
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
SMILESCc1ccc2c(c1C)Cc1occc1CC2
InChIInChI=1S/C15H16O/c1-10-3-4-12-5-6-13-7-8-16-15(13)9-14(12)11(10)2/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyMNDUESJSVMCJBR-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 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The IUPAC name of 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene (CID 23425036) is 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene.
What is the SMILES notation for 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The canonical SMILES for 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene is Cc1ccc2c(c1C)Cc1occc1CC2.
What is the InChIKey of 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The InChIKey is MNDUESJSVMCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10-3-4-12-5-6-13-7-8-16-15(13)9-14(12)11(10)2/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-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 13,14-dimethyl-4-oxatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene is sourced from PubChem (CID 23425036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).