(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

C12H16O5 — CID 14702232

IUPAC(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1/C2=C(C(=O)OCC2)[C@H](OC)O[C@H]1OC
InChIInChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3/b7-4-/t11-,12-/m1/s1
InChIKeyJAYIAMKATBCOIA-MGNMTHHWSA-N
MW240.25 g/mol
LogP1.15
Rot. Bonds2

About (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (PubChem CID 14702232) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.

Molecular Properties

Compound Name(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
PubChem CID14702232
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1/C2=C(C(=O)OCC2)[C@H](OC)O[C@H]1OC
InChIInChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3/b7-4-/t11-,12-/m1/s1
InChIKeyJAYIAMKATBCOIA-MGNMTHHWSA-N
XLogP1.15
TPSA53.99 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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The IUPAC name of (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (CID 14702232) is (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.
What is the SMILES notation for (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The canonical SMILES for (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is C/C=C1/C2=C(C(=O)OCC2)[C@H](OC)O[C@H]1OC.
What is the InChIKey of (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The InChIKey is JAYIAMKATBCOIA-MGNMTHHWSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3/b7-4-/t11-,12-/m1/s1.
What are the key properties of (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
(1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one has a molecular weight of 240.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4Z)-4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is sourced from PubChem (CID 14702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).