(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol

C8H14O4 — CID 145113499

IUPAC(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol
SMILESCO[C@@H]1CO[C@@H]2[C@H](O)CO[C@@]21C
InChIInChI=1S/C8H14O4/c1-8-6(10-2)4-11-7(8)5(9)3-12-8/h5-7,9H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyQJAMRWUUIZNVTA-WCTZXXKLSA-N
MW174.20 g/mol
LogP-0.45
Rot. Bonds1

About (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol (PubChem CID 145113499) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol
PubChem CID145113499
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol
SMILESCO[C@@H]1CO[C@@H]2[C@H](O)CO[C@@]21C
InChIInChI=1S/C8H14O4/c1-8-6(10-2)4-11-7(8)5(9)3-12-8/h5-7,9H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyQJAMRWUUIZNVTA-WCTZXXKLSA-N
XLogP-0.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol
CID 91083882
2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571
(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
CID 129116872
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
(1R,2S,4R)-5-ethyl-4-methoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 57014251
5-methoxy-6,6-dimethyloxan-2-ol
CID 77491775
[(3R,3aR,6R,6aR)-6-[(Z)-3-carboxyprop-2-enoyl]oxy-3-hydroxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]-methylidyneazanium
CID 163781754
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
CID 163627275

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol (CID 145113499) is (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol is CO[C@@H]1CO[C@@H]2[C@H](O)CO[C@@]21C.
What is the InChIKey of (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol?
The InChIKey is QJAMRWUUIZNVTA-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H14O4/c1-8-6(10-2)4-11-7(8)5(9)3-12-8/h5-7,9H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol?
(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol has a molecular weight of 174.20 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol is sourced from PubChem (CID 145113499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).