6-(2-hydroxypropan-2-yl)oxan-2-ol

C8H16O3 — CID 175813988

IUPAC6-(2-hydroxypropan-2-yl)oxan-2-ol
SMILESCC(C)(O)C1CCCC(O)O1
InChIInChI=1S/C8H16O3/c1-8(2,10)6-4-3-5-7(9)11-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyABFDJIFDNFDEFT-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.64
Rot. Bonds1

About 6-(2-hydroxypropan-2-yl)oxan-2-ol

6-(2-hydroxypropan-2-yl)oxan-2-ol (PubChem CID 175813988) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)oxan-2-ol.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)oxan-2-ol
PubChem CID175813988
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6-(2-hydroxypropan-2-yl)oxan-2-ol
SMILESCC(C)(O)C1CCCC(O)O1
InChIInChI=1S/C8H16O3/c1-8(2,10)6-4-3-5-7(9)11-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyABFDJIFDNFDEFT-UHFFFAOYSA-N
XLogP0.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)oxan-2-ol?
The IUPAC name of 6-(2-hydroxypropan-2-yl)oxan-2-ol (CID 175813988) is 6-(2-hydroxypropan-2-yl)oxan-2-ol.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)oxan-2-ol?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)oxan-2-ol is CC(C)(O)C1CCCC(O)O1.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)oxan-2-ol?
The InChIKey is ABFDJIFDNFDEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,10)6-4-3-5-7(9)11-6/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 6-(2-hydroxypropan-2-yl)oxan-2-ol?
6-(2-hydroxypropan-2-yl)oxan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)oxan-2-ol is sourced from PubChem (CID 175813988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).