(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene

C13H18 — CID 141118570

IUPAC(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
SMILESC1=C\C=C\CCCCC/C=C/C=C/1
InChIInChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8H,9-13H2/b3-1-,4-2+,7-5+,8-6+
InChIKeyBGIVUKHOBKVIBC-DMXDPFNCSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds

About (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene

(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene (PubChem CID 141118570) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
PubChem CID141118570
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
SMILESC1=C\C=C\CCCCC/C=C/C=C/1
InChIInChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8H,9-13H2/b3-1-,4-2+,7-5+,8-6+
InChIKeyBGIVUKHOBKVIBC-DMXDPFNCSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopentadeca-1,3,5,7,9-pentaene
CID 91292222
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
cycloheptacosa-1,3,5,7,9,11,13,15-octaene
CID 91401488
cyclododeca-1,3,5-triene
CID 53421619
cyclotricosa-1,3,5,7,9-pentaene
CID 90742480
(1Z,3E,5E,7E,9E,11E,13Z,15E,17Z,19Z)-cyclononacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 173020582
cyclotetracosa-1,3,5-triene
CID 54104094
cyclopentacosa-1,3,5-triene
CID 91129335

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene?
The IUPAC name of (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene (CID 141118570) is (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene.
What is the SMILES notation for (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene?
The canonical SMILES for (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene is C1=C\C=C\CCCCC/C=C/C=C/1.
What is the InChIKey of (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene?
The InChIKey is BGIVUKHOBKVIBC-DMXDPFNCSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8H,9-13H2/b3-1-,4-2+,7-5+,8-6+.
What are the key properties of (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene?
(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene is sourced from PubChem (CID 141118570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).