(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

C8H8O4 — CID 14356658

IUPAC(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCO[C@H]1OCC=C2OC(=O)C=C21
InChIInChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3/t8-/m0/s1
InChIKeyVPGCSEQPAOOVGQ-QMMMGPOBSA-N
MW168.15 g/mol
LogP0.36
Rot. Bonds1

About (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (PubChem CID 14356658) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.

Molecular Properties

Compound Name(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
PubChem CID14356658
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCO[C@H]1OCC=C2OC(=O)C=C21
InChIInChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3/t8-/m0/s1
InChIKeyVPGCSEQPAOOVGQ-QMMMGPOBSA-N
XLogP0.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Patulin
CID 4696
Isopatulin
CID 155497
4H-Furo(3,2-C)pyran-2(6H)-one, 4-(acetyloxy)-
CID 484983
(4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one
CID 7059600
(4R)-4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
CID 7059599
Aspergilsmin C
CID 10931817
Chenopodolan F
CID 139586037
Chenopodolan E
CID 139588349
(5r,7r)-7-Ethyl-4,5-dimethoxy-7-methyl-5,7-dihydro-2h-furo[3,4-b]pyran-2-one
CID 145915996
(5s,7r)-7-Ethyl-4,5-dimethoxy-7-methyl-5,7-dihydro-2h-furo[3,4-b]pyran-2-one
CID 145915997
Patulin-13C7
CID 117064737
Aspergilsmin D
CID 156581969

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The IUPAC name of (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (CID 14356658) is (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
What is the SMILES notation for (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The canonical SMILES for (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is CO[C@H]1OCC=C2OC(=O)C=C21.
What is the InChIKey of (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The InChIKey is VPGCSEQPAOOVGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
(4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one has a molecular weight of 168.15 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is sourced from PubChem (CID 14356658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).