1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione

C10H10O6 — CID 118324365

IUPAC1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione
SMILESO=C1C2=C(C(=O)C(O)C(O)C1O)C(O)C=C2
InChIInChI=1S/C10H10O6/c11-4-2-1-3-5(4)7(13)9(15)10(16)8(14)6(3)12/h1-2,4,8-11,14-16H
InChIKeyKYNNDEBYUAJACQ-UHFFFAOYSA-N
MW226.18 g/mol
LogP-2.55
Rot. Bonds

About 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione

1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione (PubChem CID 118324365) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione.

Molecular Properties

Compound Name1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione
PubChem CID118324365
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione
SMILESO=C1C2=C(C(=O)C(O)C(O)C1O)C(O)C=C2
InChIInChI=1S/C10H10O6/c11-4-2-1-3-5(4)7(13)9(15)10(16)8(14)6(3)12/h1-2,4,8-11,14-16H
InChIKeyKYNNDEBYUAJACQ-UHFFFAOYSA-N
XLogP-2.55
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione?
The IUPAC name of 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione (CID 118324365) is 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione.
What is the SMILES notation for 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione?
The canonical SMILES for 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione is O=C1C2=C(C(=O)C(O)C(O)C1O)C(O)C=C2.
What is the InChIKey of 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione?
The InChIKey is KYNNDEBYUAJACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-4-2-1-3-5(4)7(13)9(15)10(16)8(14)6(3)12/h1-2,4,8-11,14-16H.
What are the key properties of 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione?
1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione has a molecular weight of 226.18 g/mol, XLogP of -2.55, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydroxy-1,5,6,7-tetrahydroazulene-4,8-dione is sourced from PubChem (CID 118324365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).