(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan

C7H12O3 — CID 90140604

IUPAC(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
SMILESCO[C@@H]1CO[C@@H]2COC[C@H]12
InChIInChI=1S/C7H12O3/c1-8-6-4-10-7-3-9-2-5(6)7/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyQLQHEUSMDJHEJF-FSDSQADBSA-N
MW144.17 g/mol
LogP0.05
Rot. Bonds1

About (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan

(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan (PubChem CID 90140604) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan.

Molecular Properties

Compound Name(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
PubChem CID90140604
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
SMILESCO[C@@H]1CO[C@@H]2COC[C@H]12
InChIInChI=1S/C7H12O3/c1-8-6-4-10-7-3-9-2-5(6)7/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyQLQHEUSMDJHEJF-FSDSQADBSA-N
XLogP0.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The IUPAC name of (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan (CID 90140604) is (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan.
What is the SMILES notation for (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The canonical SMILES for (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan is CO[C@@H]1CO[C@@H]2COC[C@H]12.
What is the InChIKey of (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
The InChIKey is QLQHEUSMDJHEJF-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O3/c1-8-6-4-10-7-3-9-2-5(6)7/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan?
(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan has a molecular weight of 144.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan is sourced from PubChem (CID 90140604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).