(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione

C10H12O4 — CID 10262081

IUPAC(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione
SMILESC[C@@H]1C[C@H](O)/C=C/C(=O)/C=C\C(=O)O1
InChIInChI=1S/C10H12O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7,9,12H,6H2,1H3/b3-2+,5-4-/t7-,9-/m1/s1
InChIKeyJWBPDRMVPZPOHO-RQBIMOGRSA-N
MW196.20 g/mol
LogP0.36
Rot. Bonds

About (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione

(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione (PubChem CID 10262081) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione.

Molecular Properties

Compound Name(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione
PubChem CID10262081
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione
SMILESC[C@@H]1C[C@H](O)/C=C/C(=O)/C=C\C(=O)O1
InChIInChI=1S/C10H12O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7,9,12H,6H2,1H3/b3-2+,5-4-/t7-,9-/m1/s1
InChIKeyJWBPDRMVPZPOHO-RQBIMOGRSA-N
XLogP0.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione?
The IUPAC name of (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione (CID 10262081) is (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione.
What is the SMILES notation for (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione?
The canonical SMILES for (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione is C[C@@H]1C[C@H](O)/C=C/C(=O)/C=C\C(=O)O1.
What is the InChIKey of (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione?
The InChIKey is JWBPDRMVPZPOHO-RQBIMOGRSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7,9,12H,6H2,1H3/b3-2+,5-4-/t7-,9-/m1/s1.
What are the key properties of (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione?
(2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione has a molecular weight of 196.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5E,8Z)-4-hydroxy-2-methyl-3,4-dihydro-2H-oxecine-7,10-dione is sourced from PubChem (CID 10262081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).