(1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene

C13H18 — CID 173030908

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

About (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene

(1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene (PubChem CID 173030908) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene.

Molecular Properties

Compound Name(1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene
PubChem CID173030908
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene
SMILESC1=CC/C=C/C=C\CCCC/C=C\1
InChIInChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,7,9,11,13H,5-6,8,10,12H2/b3-1+,4-2-,9-7?,13-11-
InChIKeyAOTKIFYRAKXOKZ-VUZOFPNQSA-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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Frequently Asked Questions

What is the IUPAC name of (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene?
The IUPAC name of (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene (CID 173030908) is (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene.
What is the SMILES notation for (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene?
The canonical SMILES for (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene is C1=CC/C=C/C=C\CCCC/C=C\1.
What is the InChIKey of (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene?
The InChIKey is AOTKIFYRAKXOKZ-VUZOFPNQSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,7,9,11,13H,5-6,8,10,12H2/b3-1+,4-2-,9-7?,13-11-.
What are the key properties of (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene?
(1Z,6E,8Z)-cyclotrideca-1,3,6,8-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 (1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene is sourced from PubChem (CID 173030908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).