(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione

C8H6O7 — CID 141318999

IUPAC(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
SMILESO=C1CC2(O)CC(=O)O/C(=C\O1)OC2=O
InChIInChI=1S/C8H6O7/c9-4-1-8(12)2-5(10)14-6(3-13-4)15-7(8)11/h3,12H,1-2H2/b6-3+
InChIKeyPPLDCQQWSGPZLK-ZZXKWVIFSA-N
MW214.13 g/mol
LogP-1.05
Rot. Bonds

About (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione

(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione (PubChem CID 141318999) has the molecular formula C8H6O7 and a molecular weight of 214.13 g/mol. Its IUPAC name is (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione.

Molecular Properties

Compound Name(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
PubChem CID141318999
Molecular FormulaC8H6O7
Molecular Weight214.13 g/mol
Exact Mass214.01
IUPAC Name(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
SMILESO=C1CC2(O)CC(=O)O/C(=C\O1)OC2=O
InChIInChI=1S/C8H6O7/c9-4-1-8(12)2-5(10)14-6(3-13-4)15-7(8)11/h3,12H,1-2H2/b6-3+
InChIKeyPPLDCQQWSGPZLK-ZZXKWVIFSA-N
XLogP-1.05
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione?
The IUPAC name of (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione (CID 141318999) is (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione.
What is the SMILES notation for (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione?
The canonical SMILES for (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione is O=C1CC2(O)CC(=O)O/C(=C\O1)OC2=O.
What is the InChIKey of (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione?
The InChIKey is PPLDCQQWSGPZLK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H6O7/c9-4-1-8(12)2-5(10)14-6(3-13-4)15-7(8)11/h3,12H,1-2H2/b6-3+.
What are the key properties of (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione?
(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione has a molecular weight of 214.13 g/mol, XLogP of -1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione is sourced from PubChem (CID 141318999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).