4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C7H10O4 — CID 20816446

IUPAC4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCOC1OCC2OC(=O)CC21
InChIInChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3
InChIKeyLQEIOPTZKCKTPQ-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.08
Rot. Bonds1

About 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 20816446) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID20816446
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCOC1OCC2OC(=O)CC21
InChIInChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3
InChIKeyLQEIOPTZKCKTPQ-UHFFFAOYSA-N
XLogP-0.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 20816446) is 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is COC1OCC2OC(=O)CC21.
What is the InChIKey of 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is LQEIOPTZKCKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 158.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 20816446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).