5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C17H18 — CID 59881663

IUPAC5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCc1ccc2c(c1)Cc1ccccc1C(C)C2
InChIInChI=1S/C17H18/c1-12-7-8-14-10-13(2)17-6-4-3-5-15(17)11-16(14)9-12/h3-9,13H,10-11H2,1-2H3
InChIKeyUMDSYMRSWQUKEK-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.25
Rot. Bonds

About 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 59881663) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID59881663
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCc1ccc2c(c1)Cc1ccccc1C(C)C2
InChIInChI=1S/C17H18/c1-12-7-8-14-10-13(2)17-6-4-3-5-15(17)11-16(14)9-12/h3-9,13H,10-11H2,1-2H3
InChIKeyUMDSYMRSWQUKEK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 59881663) is 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is Cc1ccc2c(c1)Cc1ccccc1C(C)C2.
What is the InChIKey of 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is UMDSYMRSWQUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-12-7-8-14-10-13(2)17-6-4-3-5-15(17)11-16(14)9-12/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 222.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59881663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).