(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane

C8H16O3 — CID 142011906

IUPAC(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
SMILESCC.OC1CO[C@H]2OCC[C@@H]12
InChIInChI=1S/C6H10O3.C2H6/c7-5-3-9-6-4(5)1-2-8-6;1-2/h4-7H,1-3H2;1-2H3/t4-,5?,6+;/m0./s1
InChIKeyFOHVSLQXBRILJH-RREKBYKESA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds

About (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane

(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane (PubChem CID 142011906) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane.

Molecular Properties

Compound Name(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
PubChem CID142011906
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
SMILESCC.OC1CO[C@H]2OCC[C@@H]12
InChIInChI=1S/C6H10O3.C2H6/c7-5-3-9-6-4(5)1-2-8-6;1-2/h4-7H,1-3H2;1-2H3/t4-,5?,6+;/m0./s1
InChIKeyFOHVSLQXBRILJH-RREKBYKESA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane with MolForge

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Related Compounds

(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol
CID 157339017
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(1S,4S,6R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979764
N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 89020834
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane?
The IUPAC name of (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane (CID 142011906) is (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane.
What is the SMILES notation for (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane?
The canonical SMILES for (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane is CC.OC1CO[C@H]2OCC[C@@H]12.
What is the InChIKey of (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane?
The InChIKey is FOHVSLQXBRILJH-RREKBYKESA-N. The full InChI is InChI=1S/C6H10O3.C2H6/c7-5-3-9-6-4(5)1-2-8-6;1-2/h4-7H,1-3H2;1-2H3/t4-,5?,6+;/m0./s1.
What are the key properties of (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane?
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane has a molecular weight of 160.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane is sourced from PubChem (CID 142011906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).