5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C9H16O4 — CID 146506223

IUPAC5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCC(C)OC1CC2OCC(O)C2O1
InChIInChI=1S/C9H16O4/c1-5(2)12-8-3-7-9(13-8)6(10)4-11-7/h5-10H,3-4H2,1-2H3
InChIKeyIVVSJTMCZGQXRQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.29
Rot. Bonds2

About 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 146506223) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID146506223
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCC(C)OC1CC2OCC(O)C2O1
InChIInChI=1S/C9H16O4/c1-5(2)12-8-3-7-9(13-8)6(10)4-11-7/h5-10H,3-4H2,1-2H3
InChIKeyIVVSJTMCZGQXRQ-UHFFFAOYSA-N
XLogP0.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 146506223) is 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is CC(C)OC1CC2OCC(O)C2O1.
What is the InChIKey of 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is IVVSJTMCZGQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5(2)12-8-3-7-9(13-8)6(10)4-11-7/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 188.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 146506223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).