(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione

C10H16O4 — CID 10081493

IUPAC(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione
SMILESC[C@@H]1C[C@H](O)CCCC(=O)CC(=O)O1
InChIInChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyCFFWJDRYTUTBMI-HTQZYQBOSA-N
MW200.23 g/mol
LogP0.81
Rot. Bonds

About (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione

(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione (PubChem CID 10081493) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione.

Molecular Properties

Compound Name(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione
PubChem CID10081493
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione
SMILESC[C@@H]1C[C@H](O)CCCC(=O)CC(=O)O1
InChIInChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyCFFWJDRYTUTBMI-HTQZYQBOSA-N
XLogP0.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione?
The IUPAC name of (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione (CID 10081493) is (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione.
What is the SMILES notation for (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione?
The canonical SMILES for (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione is C[C@@H]1C[C@H](O)CCCC(=O)CC(=O)O1.
What is the InChIKey of (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione?
The InChIKey is CFFWJDRYTUTBMI-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione?
(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione has a molecular weight of 200.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione is sourced from PubChem (CID 10081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).