6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C18H14 — CID 143566640

IUPAC6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESCC1=CCC=C2c3ccccc3-c3cccc1c32
InChIInChI=1S/C18H14/c1-12-6-4-10-16-14-7-2-3-8-15(14)17-11-5-9-13(12)18(16)17/h2-3,5-11H,4H2,1H3
InChIKeyGUVQWWDKOVJPMG-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.91
Rot. Bonds

About 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene

6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 143566640) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID143566640
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESCC1=CCC=C2c3ccccc3-c3cccc1c32
InChIInChI=1S/C18H14/c1-12-6-4-10-16-14-7-2-3-8-15(14)17-11-5-9-13(12)18(16)17/h2-3,5-11H,4H2,1H3
InChIKeyGUVQWWDKOVJPMG-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

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CID 173094334

Frequently Asked Questions

What is the IUPAC name of 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 143566640) is 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene is CC1=CCC=C2c3ccccc3-c3cccc1c32.
What is the InChIKey of 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is GUVQWWDKOVJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-12-6-4-10-16-14-7-2-3-8-15(14)17-11-5-9-13(12)18(16)17/h2-3,5-11H,4H2,1H3.
What are the key properties of 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 230.31 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 143566640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).