(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one

C9H12O5 — CID 156581972

IUPAC(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one
SMILESCO[C@H]1OCC[C@]2(OC)OC(=O)C=C12
InChIInChI=1S/C9H12O5/c1-11-8-6-5-7(10)14-9(6,12-2)3-4-13-8/h5,8H,3-4H2,1-2H3/t8-,9-/m0/s1
InChIKeyBRIJMHXYHLRFCT-IUCAKERBSA-N
MW200.19 g/mol
LogP0.21
Rot. Bonds2

About (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one

(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one (PubChem CID 156581972) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one.

Molecular Properties

Compound Name(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one
PubChem CID156581972
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one
SMILESCO[C@H]1OCC[C@]2(OC)OC(=O)C=C12
InChIInChI=1S/C9H12O5/c1-11-8-6-5-7(10)14-9(6,12-2)3-4-13-8/h5,8H,3-4H2,1-2H3/t8-,9-/m0/s1
InChIKeyBRIJMHXYHLRFCT-IUCAKERBSA-N
XLogP0.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one?
The IUPAC name of (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one (CID 156581972) is (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one.
What is the SMILES notation for (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one?
The canonical SMILES for (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one is CO[C@H]1OCC[C@]2(OC)OC(=O)C=C12.
What is the InChIKey of (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one?
The InChIKey is BRIJMHXYHLRFCT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H12O5/c1-11-8-6-5-7(10)14-9(6,12-2)3-4-13-8/h5,8H,3-4H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one?
(4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one has a molecular weight of 200.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7aS)-4,7a-dimethoxy-6,7-dihydro-4H-furo[3,2-c]pyran-2-one is sourced from PubChem (CID 156581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).