5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

C17H14 — CID 143619710

IUPAC5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCc1ccc2c(c1)C1=CC(C)c3cccc-2c31
InChIInChI=1S/C17H14/c1-10-6-7-13-14-5-3-4-12-11(2)9-16(17(12)14)15(13)8-10/h3-9,11H,1-2H3
InChIKeySSHVLOQKONCDNM-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.52
Rot. Bonds

About 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (PubChem CID 143619710) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.

Molecular Properties

Compound Name5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
PubChem CID143619710
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCc1ccc2c(c1)C1=CC(C)c3cccc-2c31
InChIInChI=1S/C17H14/c1-10-6-7-13-14-5-3-4-12-11(2)9-16(17(12)14)15(13)8-10/h3-9,11H,1-2H3
InChIKeySSHVLOQKONCDNM-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The IUPAC name of 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (CID 143619710) is 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.
What is the SMILES notation for 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The canonical SMILES for 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is Cc1ccc2c(c1)C1=CC(C)c3cccc-2c31.
What is the InChIKey of 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The InChIKey is SSHVLOQKONCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-10-6-7-13-14-5-3-4-12-11(2)9-16(17(12)14)15(13)8-10/h3-9,11H,1-2H3.
What are the key properties of 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene has a molecular weight of 218.30 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is sourced from PubChem (CID 143619710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).