(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene

C13H16 — CID 173043875

IUPAC(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene
SMILESC1=CC/C=C/C=C\C=C\CCC=C1
InChIInChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-6,9,11-13H,7-8,10H2/b2-1-,5-3+,6-4+,11-9?,13-12?
InChIKeyAMWOKQGABLYDHS-WLWIGGLTSA-N
MW172.27 g/mol
LogP3.95
Rot. Bonds

About (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene

(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene (PubChem CID 173043875) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene
PubChem CID173043875
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene
SMILESC1=CC/C=C/C=C\C=C\CCC=C1
InChIInChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-6,9,11-13H,7-8,10H2/b2-1-,5-3+,6-4+,11-9?,13-12?
InChIKeyAMWOKQGABLYDHS-WLWIGGLTSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1Z,8E,10Z)-cyclotrideca-1,3,5,8,10-pentaene
CID 173044061
(1E,3Z,5E,11Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030681
(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
CID 173030820
(1E,3Z,5E,8E)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030944
(1Z,3E,5Z,8Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173044042
(3Z,5E,7E,10Z)-cyclotrideca-1,3,5,7,10-pentaene
CID 173044026
(1Z,3Z,5E)-cycloundeca-1,3,5,8-tetraene
CID 173044022
cyclotetradeca-1,3,6,9,11-pentaene
CID 91126226
(1E,3Z)-cyclonona-1,3,6-triene
CID 173030680
(1E,6E)-cyclotrideca-1,3,6,10-tetraene
CID 91188209
(1Z,3Z)-cyclonona-1,3,6-triene
CID 172705596
cycloocta-1,5-diene;cyclopenta-1,3-diene
CID 158343600

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene?
The IUPAC name of (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene (CID 173043875) is (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene.
What is the SMILES notation for (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene?
The canonical SMILES for (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene is C1=CC/C=C/C=C\C=C\CCC=C1.
What is the InChIKey of (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene?
The InChIKey is AMWOKQGABLYDHS-WLWIGGLTSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-6,9,11-13H,7-8,10H2/b2-1-,5-3+,6-4+,11-9?,13-12?.
What are the key properties of (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene?
(1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene has a molecular weight of 172.27 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-cyclotrideca-1,3,5,8,10-pentaene is sourced from PubChem (CID 173043875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).