4-(2,3-dihydrofuran-5-yl)oxan-4-ol

C9H14O3 — CID 14686599

IUPAC4-(2,3-dihydrofuran-5-yl)oxan-4-ol
SMILESOC1(C2=CCCO2)CCOCC1
InChIInChI=1S/C9H14O3/c10-9(3-6-11-7-4-9)8-2-1-5-12-8/h2,10H,1,3-7H2
InChIKeyYXFNIWZEUAZQIS-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds1

About 4-(2,3-dihydrofuran-5-yl)oxan-4-ol

4-(2,3-dihydrofuran-5-yl)oxan-4-ol (PubChem CID 14686599) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(2,3-dihydrofuran-5-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydrofuran-5-yl)oxan-4-ol
PubChem CID14686599
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-(2,3-dihydrofuran-5-yl)oxan-4-ol
SMILESOC1(C2=CCCO2)CCOCC1
InChIInChI=1S/C9H14O3/c10-9(3-6-11-7-4-9)8-2-1-5-12-8/h2,10H,1,3-7H2
InChIKeyYXFNIWZEUAZQIS-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrofuran-5-yl)oxan-4-ol?
The IUPAC name of 4-(2,3-dihydrofuran-5-yl)oxan-4-ol (CID 14686599) is 4-(2,3-dihydrofuran-5-yl)oxan-4-ol.
What is the SMILES notation for 4-(2,3-dihydrofuran-5-yl)oxan-4-ol?
The canonical SMILES for 4-(2,3-dihydrofuran-5-yl)oxan-4-ol is OC1(C2=CCCO2)CCOCC1.
What is the InChIKey of 4-(2,3-dihydrofuran-5-yl)oxan-4-ol?
The InChIKey is YXFNIWZEUAZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-9(3-6-11-7-4-9)8-2-1-5-12-8/h2,10H,1,3-7H2.
What are the key properties of 4-(2,3-dihydrofuran-5-yl)oxan-4-ol?
4-(2,3-dihydrofuran-5-yl)oxan-4-ol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrofuran-5-yl)oxan-4-ol is sourced from PubChem (CID 14686599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).