(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one

C10H16O4 — CID 134893105

IUPAC(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one
SMILESCOCOC(C=C=O)CC/C=C\CO
InChIInChI=1S/C10H16O4/c1-13-9-14-10(6-8-12)5-3-2-4-7-11/h2,4,6,10-11H,3,5,7,9H2,1H3/b4-2-
InChIKeyCDEFPXOKHQTUDU-RQOWECAXSA-N
MW200.23 g/mol
LogP0.69
Rot. Bonds8

About (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one

(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one (PubChem CID 134893105) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one.

Molecular Properties

Compound Name(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one
PubChem CID134893105
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one
SMILESCOCOC(C=C=O)CC/C=C\CO
InChIInChI=1S/C10H16O4/c1-13-9-14-10(6-8-12)5-3-2-4-7-11/h2,4,6,10-11H,3,5,7,9H2,1H3/b4-2-
InChIKeyCDEFPXOKHQTUDU-RQOWECAXSA-N
XLogP0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one?
The IUPAC name of (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one (CID 134893105) is (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one.
What is the SMILES notation for (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one?
The canonical SMILES for (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one is COCOC(C=C=O)CC/C=C\CO.
What is the InChIKey of (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one?
The InChIKey is CDEFPXOKHQTUDU-RQOWECAXSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-9-14-10(6-8-12)5-3-2-4-7-11/h2,4,6,10-11H,3,5,7,9H2,1H3/b4-2-.
What are the key properties of (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one?
(6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one has a molecular weight of 200.23 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-hydroxy-3-(methoxymethoxy)octa-1,6-dien-1-one is sourced from PubChem (CID 134893105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).