5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C17H16 — CID 123351808

IUPAC5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1C=C2
InChIInChI=1S/C17H16/c1-12-3-5-14-7-8-15-6-4-13(2)10-17(15)11-16(14)9-12/h3-10H,11H2,1-2H3
InChIKeyIZRLOOBEUIXKSI-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.38
Rot. Bonds

About 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 123351808) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID123351808
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1ccc2c(c1)Cc1cc(C)ccc1C=C2
InChIInChI=1S/C17H16/c1-12-3-5-14-7-8-15-6-4-13(2)10-17(15)11-16(14)9-12/h3-10H,11H2,1-2H3
InChIKeyIZRLOOBEUIXKSI-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 123351808) is 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1ccc2c(c1)Cc1cc(C)ccc1C=C2.
What is the InChIKey of 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is IZRLOOBEUIXKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-3-5-14-7-8-15-6-4-13(2)10-17(15)11-16(14)9-12/h3-10H,11H2,1-2H3.
What are the key properties of 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 220.31 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 123351808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).