(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

C11H10O5 — CID 44575338

IUPAC(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
SMILESC=C1OC(=O)[C@]2(C1=O)[C@H](C)C=CC(=O)[C@H]2O
InChIInChI=1S/C11H10O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,9,14H,2H2,1H3/t5-,9-,11+/m1/s1
InChIKeyGBBAMXSZPPEWFS-VPFRCSFRSA-N
MW222.20 g/mol
LogP-0.25
Rot. Bonds

About (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione (PubChem CID 44575338) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione.

Molecular Properties

Compound Name(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
PubChem CID44575338
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
SMILESC=C1OC(=O)[C@]2(C1=O)[C@H](C)C=CC(=O)[C@H]2O
InChIInChI=1S/C11H10O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,9,14H,2H2,1H3/t5-,9-,11+/m1/s1
InChIKeyGBBAMXSZPPEWFS-VPFRCSFRSA-N
XLogP-0.25
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione?
The IUPAC name of (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione (CID 44575338) is (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione.
What is the SMILES notation for (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione?
The canonical SMILES for (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione is C=C1OC(=O)[C@]2(C1=O)[C@H](C)C=CC(=O)[C@H]2O.
What is the InChIKey of (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione?
The InChIKey is GBBAMXSZPPEWFS-VPFRCSFRSA-N. The full InChI is InChI=1S/C11H10O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,9,14H,2H2,1H3/t5-,9-,11+/m1/s1.
What are the key properties of (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione?
(5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione has a molecular weight of 222.20 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,10R)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione is sourced from PubChem (CID 44575338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).