(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione

C10H14O4 — CID 72793049

IUPAC(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
SMILESC[C@@H]1CCC(=O)/C=C\[C@@H](O)CC(=O)O1
InChIInChI=1S/C10H14O4/c1-7-2-3-8(11)4-5-9(12)6-10(13)14-7/h4-5,7,9,12H,2-3,6H2,1H3/b5-4-/t7-,9-/m1/s1
InChIKeyOYHHNJLVXIIQGO-LEZDYHIDSA-N
MW198.22 g/mol
LogP0.59
Rot. Bonds

About (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione

(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione (PubChem CID 72793049) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione.

Molecular Properties

Compound Name(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
PubChem CID72793049
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
SMILESC[C@@H]1CCC(=O)/C=C\[C@@H](O)CC(=O)O1
InChIInChI=1S/C10H14O4/c1-7-2-3-8(11)4-5-9(12)6-10(13)14-7/h4-5,7,9,12H,2-3,6H2,1H3/b5-4-/t7-,9-/m1/s1
InChIKeyOYHHNJLVXIIQGO-LEZDYHIDSA-N
XLogP0.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The IUPAC name of (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione (CID 72793049) is (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione.
What is the SMILES notation for (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The canonical SMILES for (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione is C[C@@H]1CCC(=O)/C=C\[C@@H](O)CC(=O)O1.
What is the InChIKey of (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The InChIKey is OYHHNJLVXIIQGO-LEZDYHIDSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-2-3-8(11)4-5-9(12)6-10(13)14-7/h4-5,7,9,12H,2-3,6H2,1H3/b5-4-/t7-,9-/m1/s1.
What are the key properties of (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
(2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione has a molecular weight of 198.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6Z,8S)-8-hydroxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione is sourced from PubChem (CID 72793049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).