(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C6H10O2 — CID 90136279

IUPAC(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC1C[C@@H]2OCCC2O1
InChIInChI=1S/C6H10O2/c1-3-7-6-2-4-8-5(1)6/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyPHXGAJLBHUUAKB-ZBHICJROSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds

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

(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 90136279) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID90136279
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC1C[C@@H]2OCCC2O1
InChIInChI=1S/C6H10O2/c1-3-7-6-2-4-8-5(1)6/h5-6H,1-4H2/t5-,6?/m0/s1
InChIKeyPHXGAJLBHUUAKB-ZBHICJROSA-N
XLogP0.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 90136279) is (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C1C[C@@H]2OCCC2O1.
What is the InChIKey of (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is PHXGAJLBHUUAKB-ZBHICJROSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-7-6-2-4-8-5(1)6/h5-6H,1-4H2/t5-,6?/m0/s1.
What are the key properties of (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 114.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 90136279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).