(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one

C11H14O5 — CID 53319537

IUPAC(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1COC(C)(O)[C@H]2C
InChIInChI=1S/C11H14O5/c1-6-10-7(5-15-11(6,2)13)8(14-3)4-9(12)16-10/h4,6,13H,5H2,1-3H3/t6-,11?/m0/s1
InChIKeyHHOYYCAQWHQFFV-OCAOPBLFSA-N
MW226.23 g/mol
LogP0.99
Rot. Bonds1

About (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one

(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one (PubChem CID 53319537) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
PubChem CID53319537
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1COC(C)(O)[C@H]2C
InChIInChI=1S/C11H14O5/c1-6-10-7(5-15-11(6,2)13)8(14-3)4-9(12)16-10/h4,6,13H,5H2,1-3H3/t6-,11?/m0/s1
InChIKeyHHOYYCAQWHQFFV-OCAOPBLFSA-N
XLogP0.99
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The IUPAC name of (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one (CID 53319537) is (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one.
What is the SMILES notation for (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The canonical SMILES for (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one is COc1cc(=O)oc2c1COC(C)(O)[C@H]2C.
What is the InChIKey of (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The InChIKey is HHOYYCAQWHQFFV-OCAOPBLFSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-10-7(5-15-11(6,2)13)8(14-3)4-9(12)16-10/h4,6,13H,5H2,1-3H3/t6-,11?/m0/s1.
What are the key properties of (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
(8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one has a molecular weight of 226.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-hydroxy-4-methoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 53319537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).