(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene

C15H14 — CID 163765454

IUPAC(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESC1=C/C2=C\C=C/C=C\C=C/C=C\C1=CC2
InChIInChI=1S/C15H14/c1-2-4-6-8-14-10-12-15(13-11-14)9-7-5-3-1/h1-12H,13H2/b3-1-,4-2-,7-5-,8-6-,15-9+
InChIKeyMBWKWHBVCXSRPD-VRBSJLRHSA-N
MW194.28 g/mol
LogP4.04
Rot. Bonds

About (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene

(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 163765454) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID163765454
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESC1=C/C2=C\C=C/C=C\C=C/C=C\C1=CC2
InChIInChI=1S/C15H14/c1-2-4-6-8-14-10-12-15(13-11-14)9-7-5-3-1/h1-12H,13H2/b3-1-,4-2-,7-5-,8-6-,15-9+
InChIKeyMBWKWHBVCXSRPD-VRBSJLRHSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 163765454) is (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene is C1=C/C2=C\C=C/C=C\C=C/C=C\C1=CC2.
What is the InChIKey of (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is MBWKWHBVCXSRPD-VRBSJLRHSA-N. The full InChI is InChI=1S/C15H14/c1-2-4-6-8-14-10-12-15(13-11-14)9-7-5-3-1/h1-12H,13H2/b3-1-,4-2-,7-5-,8-6-,15-9+.
What are the key properties of (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene?
(2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 194.28 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z,10E)-bicyclo[9.2.2]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 163765454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).