(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid

C8H8O6 — CID 101316739

IUPAC(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C1CC[C@]2(C[C@H](C(=O)O)OC2=O)O1
InChIInChI=1S/C8H8O6/c9-5-1-2-8(14-5)3-4(6(10)11)13-7(8)12/h4H,1-3H2,(H,10,11)/t4-,8-/m1/s1
InChIKeyDMKZEWMLJQVMNR-SPGJFGJESA-N
MW200.15 g/mol
LogP-0.54
Rot. Bonds1

About (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid

(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 101316739) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid
PubChem CID101316739
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C1CC[C@]2(C[C@H](C(=O)O)OC2=O)O1
InChIInChI=1S/C8H8O6/c9-5-1-2-8(14-5)3-4(6(10)11)13-7(8)12/h4H,1-3H2,(H,10,11)/t4-,8-/m1/s1
InChIKeyDMKZEWMLJQVMNR-SPGJFGJESA-N
XLogP-0.54
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid (CID 101316739) is (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid is O=C1CC[C@]2(C[C@H](C(=O)O)OC2=O)O1.
What is the InChIKey of (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is DMKZEWMLJQVMNR-SPGJFGJESA-N. The full InChI is InChI=1S/C8H8O6/c9-5-1-2-8(14-5)3-4(6(10)11)13-7(8)12/h4H,1-3H2,(H,10,11)/t4-,8-/m1/s1.
What are the key properties of (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid?
(5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 101316739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).