5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

C17H16 — CID 144613079

IUPAC5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCC1=CCc2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C17H16/c1-12-7-10-16-15-6-4-3-5-14(15)9-8-13(2)17(16)11-12/h3-8,10-11H,9H2,1-2H3
InChIKeyYHQWLCCNLCZBPT-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.62
Rot. Bonds

About 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (PubChem CID 144613079) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.

Molecular Properties

Compound Name5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
PubChem CID144613079
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCC1=CCc2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C17H16/c1-12-7-10-16-15-6-4-3-5-14(15)9-8-13(2)17(16)11-12/h3-8,10-11H,9H2,1-2H3
InChIKeyYHQWLCCNLCZBPT-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The IUPAC name of 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (CID 144613079) is 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.
What is the SMILES notation for 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The canonical SMILES for 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is CC1=CCc2ccccc2-c2ccc(C)cc21.
What is the InChIKey of 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The InChIKey is YHQWLCCNLCZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-7-10-16-15-6-4-3-5-14(15)9-8-13(2)17(16)11-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene has a molecular weight of 220.31 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is sourced from PubChem (CID 144613079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).