[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol

C7H12O4 — CID 137446456

IUPAC[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
SMILESOCO[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C7H12O4/c8-4-11-6-3-10-5-1-2-9-7(5)6/h5-8H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyJURHGJPFGNFKHN-VQVTYTSYSA-N
MW160.17 g/mol
LogP-0.49
Rot. Bonds2

About [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol

[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol (PubChem CID 137446456) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol.

Molecular Properties

Compound Name[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
PubChem CID137446456
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
SMILESOCO[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C7H12O4/c8-4-11-6-3-10-5-1-2-9-7(5)6/h5-8H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyJURHGJPFGNFKHN-VQVTYTSYSA-N
XLogP-0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol?
The IUPAC name of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol (CID 137446456) is [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol.
What is the SMILES notation for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol?
The canonical SMILES for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol is OCO[C@H]1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol?
The InChIKey is JURHGJPFGNFKHN-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H12O4/c8-4-11-6-3-10-5-1-2-9-7(5)6/h5-8H,1-4H2/t5-,6+,7+/m1/s1.
What are the key properties of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol?
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol has a molecular weight of 160.17 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol is sourced from PubChem (CID 137446456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).