9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene

C17H16 — CID 143010186

IUPAC9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene
SMILESCC1=C2C=CC=CC23CC32C=CC=CC2=C1C
InChIInChI=1S/C17H16/c1-12-13(2)15-8-4-6-10-17(15)11-16(17)9-5-3-7-14(12)16/h3-10H,11H2,1-2H3
InChIKeyCEPSOJJVXFJPJV-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.26
Rot. Bonds

About 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene

9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene (PubChem CID 143010186) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene.

Molecular Properties

Compound Name9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene
PubChem CID143010186
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene
SMILESCC1=C2C=CC=CC23CC32C=CC=CC2=C1C
InChIInChI=1S/C17H16/c1-12-13(2)15-8-4-6-10-17(15)11-16(17)9-5-3-7-14(12)16/h3-10H,11H2,1-2H3
InChIKeyCEPSOJJVXFJPJV-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene?
The IUPAC name of 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene (CID 143010186) is 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene.
What is the SMILES notation for 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene?
The canonical SMILES for 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene is CC1=C2C=CC=CC23CC32C=CC=CC2=C1C.
What is the InChIKey of 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene?
The InChIKey is CEPSOJJVXFJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-13(2)15-8-4-6-10-17(15)11-16(17)9-5-3-7-14(12)16/h3-10H,11H2,1-2H3.
What are the key properties of 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene?
9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene has a molecular weight of 220.31 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene is sourced from PubChem (CID 143010186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).