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

C12H17BrO3 — CID 79926994

IUPAC3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2occc2Br)C(C)(C)O1
InChIInChI=1S/C12H17BrO3/c1-10(2)7-12(14,11(3,4)16-10)9-8(13)5-6-15-9/h5-6,14H,7H2,1-4H3
InChIKeyCTZAAPUPCNTIPC-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.21
Rot. Bonds1

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

3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79926994) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79926994
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2occc2Br)C(C)(C)O1
InChIInChI=1S/C12H17BrO3/c1-10(2)7-12(14,11(3,4)16-10)9-8(13)5-6-15-9/h5-6,14H,7H2,1-4H3
InChIKeyCTZAAPUPCNTIPC-UHFFFAOYSA-N
XLogP3.21
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol (CID 79926994) is 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(c2occc2Br)C(C)(C)O1.
What is the InChIKey of 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is CTZAAPUPCNTIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-10(2)7-12(14,11(3,4)16-10)9-8(13)5-6-15-9/h5-6,14H,7H2,1-4H3.
What are the key properties of 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol?
3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 289.17 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79926994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).