(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile

C14H20N2O4S2 — CID 11078461

IUPAC(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile
SMILESN#C/C1=C(\C#N)SCCOCCOCCOCCOCCS1
InChIInChI=1S/C14H20N2O4S2/c15-11-13-14(12-16)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h1-10H2/b14-13-
InChIKeyZCJGURBVXWCOER-YPKPFQOOSA-N
MW344.46 g/mol
LogP1.79
Rot. Bonds

About (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile

(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile (PubChem CID 11078461) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile.

Molecular Properties

Compound Name(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile
PubChem CID11078461
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile
SMILESN#C/C1=C(\C#N)SCCOCCOCCOCCOCCS1
InChIInChI=1S/C14H20N2O4S2/c15-11-13-14(12-16)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h1-10H2/b14-13-
InChIKeyZCJGURBVXWCOER-YPKPFQOOSA-N
XLogP1.79
TPSA84.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile?
The IUPAC name of (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile (CID 11078461) is (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile.
What is the SMILES notation for (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile?
The canonical SMILES for (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile is N#C/C1=C(\C#N)SCCOCCOCCOCCOCCS1.
What is the InChIKey of (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile?
The InChIKey is ZCJGURBVXWCOER-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c15-11-13-14(12-16)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h1-10H2/b14-13-.
What are the key properties of (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile?
(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile has a molecular weight of 344.46 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile is sourced from PubChem (CID 11078461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).