(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one

C7H10O5 — CID 59895852

IUPAC(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one
SMILESCO[C@@H]1O[C@H]2COCO[C@@H]2C1=O
InChIInChI=1S/C7H10O5/c1-9-7-5(8)6-4(12-7)2-10-3-11-6/h4,6-7H,2-3H2,1H3/t4-,6-,7+/m0/s1
InChIKeyAYBZHARSHQYJHS-JSKYLQRQSA-N
MW174.15 g/mol
LogP-0.70
Rot. Bonds1

About (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one

(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one (PubChem CID 59895852) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one.

Molecular Properties

Compound Name(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one
PubChem CID59895852
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one
SMILESCO[C@@H]1O[C@H]2COCO[C@@H]2C1=O
InChIInChI=1S/C7H10O5/c1-9-7-5(8)6-4(12-7)2-10-3-11-6/h4,6-7H,2-3H2,1H3/t4-,6-,7+/m0/s1
InChIKeyAYBZHARSHQYJHS-JSKYLQRQSA-N
XLogP-0.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one with MolForge

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Related Compounds

(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 153493511
(3aS,6S,7aS)-6-methoxy-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c](613C)pyran-7-one
CID 171394870
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
(4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11514180
2-[(2R,4aR,6S,8S,8aS)-6-methoxy-7-oxo-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]acetaldehyde
CID 101369188
4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 141190397
8-(ethoxymethoxy)-6-methoxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
CID 59012601
4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one;toluene
CID 143765689
(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-7-carbaldehyde
CID 14055354
N-[1-[(4aR,6R,7aS)-7-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71029908
(2R,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-one
CID 130993237
[(4aR,6S,7R,8R,8aR)-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-methylpropanoate
CID 177393525

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one?
The IUPAC name of (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one (CID 59895852) is (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one.
What is the SMILES notation for (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one?
The canonical SMILES for (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one is CO[C@@H]1O[C@H]2COCO[C@@H]2C1=O.
What is the InChIKey of (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one?
The InChIKey is AYBZHARSHQYJHS-JSKYLQRQSA-N. The full InChI is InChI=1S/C7H10O5/c1-9-7-5(8)6-4(12-7)2-10-3-11-6/h4,6-7H,2-3H2,1H3/t4-,6-,7+/m0/s1.
What are the key properties of (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one?
(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one has a molecular weight of 174.15 g/mol, XLogP of -0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one is sourced from PubChem (CID 59895852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).