3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol

C12H18O3 — CID 79927740

IUPAC3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2ccoc2)C(C)(C)O1
InChIInChI=1S/C12H18O3/c1-10(2)8-12(13,11(3,4)15-10)9-5-6-14-7-9/h5-7,13H,8H2,1-4H3
InChIKeyNERLGCFJKMOHKK-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.44
Rot. Bonds1

About 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol

3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79927740) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79927740
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2ccoc2)C(C)(C)O1
InChIInChI=1S/C12H18O3/c1-10(2)8-12(13,11(3,4)15-10)9-5-6-14-7-9/h5-7,13H,8H2,1-4H3
InChIKeyNERLGCFJKMOHKK-UHFFFAOYSA-N
XLogP2.44
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol (CID 79927740) is 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(c2ccoc2)C(C)(C)O1.
What is the InChIKey of 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is NERLGCFJKMOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(2)8-12(13,11(3,4)15-10)9-5-6-14-7-9/h5-7,13H,8H2,1-4H3.
What are the key properties of 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol?
3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 210.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79927740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).