2-(oxetan-2-yl)propan-2-ol

C6H12O2 — CID 84647732

IUPAC2-(oxetan-2-yl)propan-2-ol
SMILESCC(C)(O)C1CCO1
InChIInChI=1S/C6H12O2/c1-6(2,7)5-3-4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyPHTHEVSTDWSMNZ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About 2-(oxetan-2-yl)propan-2-ol

2-(oxetan-2-yl)propan-2-ol (PubChem CID 84647732) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(oxetan-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(oxetan-2-yl)propan-2-ol
PubChem CID84647732
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(oxetan-2-yl)propan-2-ol
SMILESCC(C)(O)C1CCO1
InChIInChI=1S/C6H12O2/c1-6(2,7)5-3-4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyPHTHEVSTDWSMNZ-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-2-yl)propan-2-ol?
The IUPAC name of 2-(oxetan-2-yl)propan-2-ol (CID 84647732) is 2-(oxetan-2-yl)propan-2-ol.
What is the SMILES notation for 2-(oxetan-2-yl)propan-2-ol?
The canonical SMILES for 2-(oxetan-2-yl)propan-2-ol is CC(C)(O)C1CCO1.
What is the InChIKey of 2-(oxetan-2-yl)propan-2-ol?
The InChIKey is PHTHEVSTDWSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2,7)5-3-4-8-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-(oxetan-2-yl)propan-2-ol?
2-(oxetan-2-yl)propan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-2-yl)propan-2-ol is sourced from PubChem (CID 84647732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).