(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne

C14H8S — CID 135041817

IUPAC(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne
SMILESC1#C/C=C\C#CCSCC#C/C=C\C#C1
InChIInChI=1S/C14H8S/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h5-8H,13-14H2/b7-5-,8-6-
InChIKeyFEJUADCCOZMKAC-SFECMWDFSA-N
MW208.28 g/mol
LogP1.86
Rot. Bonds

About (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne

(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne (PubChem CID 135041817) has the molecular formula C14H8S and a molecular weight of 208.28 g/mol. Its IUPAC name is (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne.

Molecular Properties

Compound Name(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne
PubChem CID135041817
Molecular FormulaC14H8S
Molecular Weight208.28 g/mol
Exact Mass208.03
IUPAC Name(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne
SMILESC1#C/C=C\C#CCSCC#C/C=C\C#C1
InChIInChI=1S/C14H8S/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h5-8H,13-14H2/b7-5-,8-6-
InChIKeyFEJUADCCOZMKAC-SFECMWDFSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne?
The IUPAC name of (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne (CID 135041817) is (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne.
What is the SMILES notation for (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne?
The canonical SMILES for (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne is C1#C/C=C\C#CCSCC#C/C=C\C#C1.
What is the InChIKey of (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne?
The InChIKey is FEJUADCCOZMKAC-SFECMWDFSA-N. The full InChI is InChI=1S/C14H8S/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h5-8H,13-14H2/b7-5-,8-6-.
What are the key properties of (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne?
(5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne has a molecular weight of 208.28 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,11Z)-1-thiacyclopentadeca-5,11-dien-3,7,9,13-tetrayne is sourced from PubChem (CID 135041817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).