2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol

C8H10O5 — CID 130961761

IUPAC2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol
SMILESOC1C=C2OC3C(O)C(O)C2(O)C13
InChIInChI=1S/C8H10O5/c9-2-1-3-8(12)4(2)6(13-3)5(10)7(8)11/h1-2,4-7,9-12H
InChIKeyMOENKPKMZWTCDO-UHFFFAOYSA-N
MW186.16 g/mol
LogP-2.27
Rot. Bonds

About 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol

2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol (PubChem CID 130961761) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol.

Molecular Properties

Compound Name2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol
PubChem CID130961761
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol
SMILESOC1C=C2OC3C(O)C(O)C2(O)C13
InChIInChI=1S/C8H10O5/c9-2-1-3-8(12)4(2)6(13-3)5(10)7(8)11/h1-2,4-7,9-12H
InChIKeyMOENKPKMZWTCDO-UHFFFAOYSA-N
XLogP-2.27
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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cyclohexa-2,6-diene-1,2,4,5-tetrol
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(3aS,4S,5S,7aS)-7-chloro-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
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Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol?
The IUPAC name of 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol (CID 130961761) is 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol.
What is the SMILES notation for 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol?
The canonical SMILES for 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol is OC1C=C2OC3C(O)C(O)C2(O)C13.
What is the InChIKey of 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol?
The InChIKey is MOENKPKMZWTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-2-1-3-8(12)4(2)6(13-3)5(10)7(8)11/h1-2,4-7,9-12H.
What are the key properties of 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol?
2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol has a molecular weight of 186.16 g/mol, XLogP of -2.27, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[4.3.0.03,7]non-1(9)-ene-4,5,6,8-tetrol is sourced from PubChem (CID 130961761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).