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

C12H16O5 — CID 139585322

IUPAC(7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1CO[C@@](C)(OC)[C@H]2C
InChIInChI=1S/C12H16O5/c1-7-11-8(6-16-12(7,2)15-4)9(14-3)5-10(13)17-11/h5,7H,6H2,1-4H3/t7-,12+/m0/s1
InChIKeyCGUPHDUDDLOQFJ-JVXZTZIISA-N
MW240.25 g/mol
LogP1.64
Rot. Bonds2

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

(7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one (PubChem CID 139585322) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name(7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
PubChem CID139585322
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1CO[C@@](C)(OC)[C@H]2C
InChIInChI=1S/C12H16O5/c1-7-11-8(6-16-12(7,2)15-4)9(14-3)5-10(13)17-11/h5,7H,6H2,1-4H3/t7-,12+/m0/s1
InChIKeyCGUPHDUDDLOQFJ-JVXZTZIISA-N
XLogP1.64
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The IUPAC name of (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one (CID 139585322) is (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one.
What is the SMILES notation for (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The canonical SMILES for (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one is COc1cc(=O)oc2c1CO[C@@](C)(OC)[C@H]2C.
What is the InChIKey of (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
The InChIKey is CGUPHDUDDLOQFJ-JVXZTZIISA-N. The full InChI is InChI=1S/C12H16O5/c1-7-11-8(6-16-12(7,2)15-4)9(14-3)5-10(13)17-11/h5,7H,6H2,1-4H3/t7-,12+/m0/s1.
What are the key properties of (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one?
(7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-4,7-dimethoxy-7,8-dimethyl-5,8-dihydropyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 139585322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).