(2Z,5Z,8Z)-1,4,7-trioxonine

C6H6O3 — CID 3036363

IUPAC(2Z,5Z,8Z)-1,4,7-trioxonine
SMILESC1=C\O/C=C\O/C=C\O/1
InChIInChI=1S/C6H6O3/c1-2-8-5-6-9-4-3-7-1/h1-6H/b2-1-,4-3-,6-5-
InChIKeyGQNOFMQXNNZQRY-SQCKSILFSA-N
MW126.11 g/mol
LogP1.46
Rot. Bonds

About (2Z,5Z,8Z)-1,4,7-trioxonine

(2Z,5Z,8Z)-1,4,7-trioxonine (PubChem CID 3036363) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is (2Z,5Z,8Z)-1,4,7-trioxonine.

Molecular Properties

Compound Name(2Z,5Z,8Z)-1,4,7-trioxonine
PubChem CID3036363
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name(2Z,5Z,8Z)-1,4,7-trioxonine
SMILESC1=C\O/C=C\O/C=C\O/1
InChIInChI=1S/C6H6O3/c1-2-8-5-6-9-4-3-7-1/h1-6H/b2-1-,4-3-,6-5-
InChIKeyGQNOFMQXNNZQRY-SQCKSILFSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,8Z)-1,4,7-trioxonine?
The IUPAC name of (2Z,5Z,8Z)-1,4,7-trioxonine (CID 3036363) is (2Z,5Z,8Z)-1,4,7-trioxonine.
What is the SMILES notation for (2Z,5Z,8Z)-1,4,7-trioxonine?
The canonical SMILES for (2Z,5Z,8Z)-1,4,7-trioxonine is C1=C\O/C=C\O/C=C\O/1.
What is the InChIKey of (2Z,5Z,8Z)-1,4,7-trioxonine?
The InChIKey is GQNOFMQXNNZQRY-SQCKSILFSA-N. The full InChI is InChI=1S/C6H6O3/c1-2-8-5-6-9-4-3-7-1/h1-6H/b2-1-,4-3-,6-5-.
What are the key properties of (2Z,5Z,8Z)-1,4,7-trioxonine?
(2Z,5Z,8Z)-1,4,7-trioxonine has a molecular weight of 126.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z)-1,4,7-trioxonine is sourced from PubChem (CID 3036363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).