(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol

C11H20O4 — CID 11298887

IUPAC(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1C[C@H]2C[C@H](CCO)O[C@H]2O1
InChIInChI=1S/C11H20O4/c1-2-9(13)10-6-7-5-8(3-4-12)14-11(7)15-10/h7-13H,2-6H2,1H3/t7-,8+,9+,10+,11+/m1/s1
InChIKeyPYTGTFSBNRHFEC-NMUGVGKYSA-N
MW216.28 g/mol
LogP0.66
Rot. Bonds4

About (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol

(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol (PubChem CID 11298887) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol
PubChem CID11298887
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1C[C@H]2C[C@H](CCO)O[C@H]2O1
InChIInChI=1S/C11H20O4/c1-2-9(13)10-6-7-5-8(3-4-12)14-11(7)15-10/h7-13H,2-6H2,1H3/t7-,8+,9+,10+,11+/m1/s1
InChIKeyPYTGTFSBNRHFEC-NMUGVGKYSA-N
XLogP0.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol (CID 11298887) is (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol is CC[C@H](O)[C@@H]1C[C@H]2C[C@H](CCO)O[C@H]2O1.
What is the InChIKey of (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol?
The InChIKey is PYTGTFSBNRHFEC-NMUGVGKYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-9(13)10-6-7-5-8(3-4-12)14-11(7)15-10/h7-13H,2-6H2,1H3/t7-,8+,9+,10+,11+/m1/s1.
What are the key properties of (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol?
(1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3aR,5S,6aS)-2-(2-hydroxyethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propan-1-ol is sourced from PubChem (CID 11298887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).