(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione

C10H16O5 — CID 10104733

IUPAC(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione
SMILESC[C@@H]1CC[C@H](O)[C@@H](O)CC(=O)CC(=O)O1
InChIInChI=1S/C10H16O5/c1-6-2-3-8(12)9(13)4-7(11)5-10(14)15-6/h6,8-9,12-13H,2-5H2,1H3/t6-,8+,9+/m1/s1
InChIKeyBQLVCFSSBHZBCF-YEPSODPASA-N
MW216.23 g/mol
LogP-0.22
Rot. Bonds

About (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione

(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione (PubChem CID 10104733) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione.

Molecular Properties

Compound Name(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione
PubChem CID10104733
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione
SMILESC[C@@H]1CC[C@H](O)[C@@H](O)CC(=O)CC(=O)O1
InChIInChI=1S/C10H16O5/c1-6-2-3-8(12)9(13)4-7(11)5-10(14)15-6/h6,8-9,12-13H,2-5H2,1H3/t6-,8+,9+/m1/s1
InChIKeyBQLVCFSSBHZBCF-YEPSODPASA-N
XLogP-0.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione?
The IUPAC name of (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione (CID 10104733) is (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione.
What is the SMILES notation for (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione?
The canonical SMILES for (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione is C[C@@H]1CC[C@H](O)[C@@H](O)CC(=O)CC(=O)O1.
What is the InChIKey of (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione?
The InChIKey is BQLVCFSSBHZBCF-YEPSODPASA-N. The full InChI is InChI=1S/C10H16O5/c1-6-2-3-8(12)9(13)4-7(11)5-10(14)15-6/h6,8-9,12-13H,2-5H2,1H3/t6-,8+,9+/m1/s1.
What are the key properties of (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione?
(6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione has a molecular weight of 216.23 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,10R)-6,7-dihydroxy-10-methyloxecane-2,4-dione is sourced from PubChem (CID 10104733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).