2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene

C20H16 — CID 143109674

IUPAC2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
SMILESCC12c3ccccc3C1(C)c1cccc3cccc2c13
InChIInChI=1S/C20H16/c1-19-14-9-3-4-10-15(14)20(19,2)17-12-6-8-13-7-5-11-16(19)18(13)17/h3-12H,1-2H3
InChIKeyRCVCWJWKRLUXLK-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.78
Rot. Bonds

About 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene

2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene (PubChem CID 143109674) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene.

Molecular Properties

Compound Name2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
PubChem CID143109674
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
SMILESCC12c3ccccc3C1(C)c1cccc3cccc2c13
InChIInChI=1S/C20H16/c1-19-14-9-3-4-10-15(14)20(19,2)17-12-6-8-13-7-5-11-16(19)18(13)17/h3-12H,1-2H3
InChIKeyRCVCWJWKRLUXLK-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene?
The IUPAC name of 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene (CID 143109674) is 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene.
What is the SMILES notation for 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene?
The canonical SMILES for 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene is CC12c3ccccc3C1(C)c1cccc3cccc2c13.
What is the InChIKey of 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene?
The InChIKey is RCVCWJWKRLUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-19-14-9-3-4-10-15(14)20(19,2)17-12-6-8-13-7-5-11-16(19)18(13)17/h3-12H,1-2H3.
What are the key properties of 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene?
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene has a molecular weight of 256.35 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene is sourced from PubChem (CID 143109674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).