4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid

C8H10O4 — CID 130305872

IUPAC4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C3OC(O)C1C23
InChIInChI=1S/C8H10O4/c9-7(10)3-1-2-4-5(3)8(11)12-6(2)4/h2-6,8,11H,1H2,(H,9,10)
InChIKeyVJNWYVRFIHXYGT-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.33
Rot. Bonds1

About 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid

4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid (PubChem CID 130305872) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid
PubChem CID130305872
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C3OC(O)C1C23
InChIInChI=1S/C8H10O4/c9-7(10)3-1-2-4-5(3)8(11)12-6(2)4/h2-6,8,11H,1H2,(H,9,10)
InChIKeyVJNWYVRFIHXYGT-UHFFFAOYSA-N
XLogP-0.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxytricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 166523956
2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 90799758
(2S)-3-oxatricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 163984291
(1S,2R,4R,6R)-6-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122131066
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
1,3-dihydroxy-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-carboxylic acid
CID 151411804
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(3R,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carboxylic acid
CID 78427034
4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid
CID 146233888
(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
CID 10654283
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid?
The IUPAC name of 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid (CID 130305872) is 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid is O=C(O)C1CC2C3OC(O)C1C23.
What is the InChIKey of 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid?
The InChIKey is VJNWYVRFIHXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7(10)3-1-2-4-5(3)8(11)12-6(2)4/h2-6,8,11H,1H2,(H,9,10).
What are the key properties of 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid?
4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid is sourced from PubChem (CID 130305872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).