(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione

C13H20O4 — CID 100934797

IUPAC(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione
SMILESO=C1OC/C=C\CCCCCCCCOC1=O
InChIInChI=1S/C13H20O4/c14-12-13(15)17-11-9-7-5-3-1-2-4-6-8-10-16-12/h6,8H,1-5,7,9-11H2/b8-6-
InChIKeyFLYLWEMRHVSJAV-VURMDHGXSA-N
MW240.30 g/mol
LogP2.37
Rot. Bonds

About (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione

(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione (PubChem CID 100934797) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione.

Molecular Properties

Compound Name(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione
PubChem CID100934797
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione
SMILESO=C1OC/C=C\CCCCCCCCOC1=O
InChIInChI=1S/C13H20O4/c14-12-13(15)17-11-9-7-5-3-1-2-4-6-8-10-16-12/h6,8H,1-5,7,9-11H2/b8-6-
InChIKeyFLYLWEMRHVSJAV-VURMDHGXSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione?
The IUPAC name of (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione (CID 100934797) is (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione.
What is the SMILES notation for (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione?
The canonical SMILES for (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione is O=C1OC/C=C\CCCCCCCCOC1=O.
What is the InChIKey of (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione?
The InChIKey is FLYLWEMRHVSJAV-VURMDHGXSA-N. The full InChI is InChI=1S/C13H20O4/c14-12-13(15)17-11-9-7-5-3-1-2-4-6-8-10-16-12/h6,8H,1-5,7,9-11H2/b8-6-.
What are the key properties of (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione?
(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione has a molecular weight of 240.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione is sourced from PubChem (CID 100934797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).