ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene

C17H22 — CID 142398385

IUPACethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene
SMILESCC.CC1=C2C=CC(C1)CC1=C(/C=C\2)CC=C1
InChIInChI=1S/C15H16.C2H6/c1-11-9-12-5-6-13(11)7-8-14-3-2-4-15(14)10-12;1-2/h2,4-8,12H,3,9-10H2,1H3;1-2H3/b8-7-;
InChIKeyTWAKQLCGNGYILY-CFYXSCKTSA-N
MW226.36 g/mol
LogP5.12
Rot. Bonds

About ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene

ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene (PubChem CID 142398385) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene.

Molecular Properties

Compound Nameethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene
PubChem CID142398385
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene
SMILESCC.CC1=C2C=CC(C1)CC1=C(/C=C\2)CC=C1
InChIInChI=1S/C15H16.C2H6/c1-11-9-12-5-6-13(11)7-8-14-3-2-4-15(14)10-12;1-2/h2,4-8,12H,3,9-10H2,1H3;1-2H3/b8-7-;
InChIKeyTWAKQLCGNGYILY-CFYXSCKTSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene?
The IUPAC name of ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene (CID 142398385) is ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene.
What is the SMILES notation for ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene?
The canonical SMILES for ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene is CC.CC1=C2C=CC(C1)CC1=C(/C=C\2)CC=C1.
What is the InChIKey of ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene?
The InChIKey is TWAKQLCGNGYILY-CFYXSCKTSA-N. The full InChI is InChI=1S/C15H16.C2H6/c1-11-9-12-5-6-13(11)7-8-14-3-2-4-15(14)10-12;1-2/h2,4-8,12H,3,9-10H2,1H3;1-2H3/b8-7-;.
What are the key properties of ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene?
ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene has a molecular weight of 226.36 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(8Z)-14-methyltricyclo[8.2.2.03,7]tetradeca-3(7),4,8,10(14),11-pentaene is sourced from PubChem (CID 142398385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).