(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene

C14H18 — CID 15562414

IUPAC(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
SMILESC1=C\CCCc2ccc(cc2)CCC/1
InChIInChI=1S/C14H18/c1-2-4-6-8-14-11-9-13(10-12-14)7-5-3-1/h1-2,9-12H,3-8H2/b2-1-
InChIKeyFGKPGTMPKFMBDZ-UPHRSURJSA-N
MW186.30 g/mol
LogP3.90
Rot. Bonds

About (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene

(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene (PubChem CID 15562414) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene.

Molecular Properties

Compound Name(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
PubChem CID15562414
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene
SMILESC1=C\CCCc2ccc(cc2)CCC/1
InChIInChI=1S/C14H18/c1-2-4-6-8-14-11-9-13(10-12-14)7-5-3-1/h1-2,9-12H,3-8H2/b2-1-
InChIKeyFGKPGTMPKFMBDZ-UPHRSURJSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene?
The IUPAC name of (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene (CID 15562414) is (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene.
What is the SMILES notation for (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene?
The canonical SMILES for (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene is C1=C\CCCc2ccc(cc2)CCC/1.
What is the InChIKey of (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene?
The InChIKey is FGKPGTMPKFMBDZ-UPHRSURJSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-6-8-14-11-9-13(10-12-14)7-5-3-1/h1-2,9-12H,3-8H2/b2-1-.
What are the key properties of (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene?
(5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene has a molecular weight of 186.30 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene is sourced from PubChem (CID 15562414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).