(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C8H14O3 — CID 167164360

IUPAC(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C8H14O3/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-9H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKeyVZCGULNFORWUOU-LXGUWJNJSA-N
MW158.20 g/mol
LogP0.17
Rot. Bonds1

About (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 167164360) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID167164360
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C8H14O3/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-9H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKeyVZCGULNFORWUOU-LXGUWJNJSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

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Related Compounds

(3S,3aS,6S,6aS)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164365
(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 163508504
3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 123503753
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 139468442
ethyl 3-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]propanoate
CID 90286026
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
CID 163497744
6-(2,3-dimethylbutan-2-yl)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163911301
(3S,3aR,6S,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59170536
(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 126688683
(3R,3aS,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59488082

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 167164360) is (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is CC[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is VZCGULNFORWUOU-LXGUWJNJSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-9H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1.
What are the key properties of (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 158.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 167164360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).