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

C8H14O2 — CID 167164363

IUPAC(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H14O2/c1-2-6-5-10-7-3-4-9-8(6)7/h6-8H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyTVRIIGLIKKQVNJ-XLPZGREQSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds1

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

(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 167164363) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID167164363
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H14O2/c1-2-6-5-10-7-3-4-9-8(6)7/h6-8H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyTVRIIGLIKKQVNJ-XLPZGREQSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 167164363) is (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC[C@H]1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is TVRIIGLIKKQVNJ-XLPZGREQSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-5-10-7-3-4-9-8(6)7/h6-8H,2-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 142.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 167164363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).