2-methyl-6-(oxan-2-yloxy)hexan-2-ol

C12H24O3 — CID 10727469

IUPAC2-methyl-6-(oxan-2-yloxy)hexan-2-ol
SMILESCC(C)(O)CCCCOC1CCCCO1
InChIInChI=1S/C12H24O3/c1-12(2,13)8-4-6-10-15-11-7-3-5-9-14-11/h11,13H,3-10H2,1-2H3
InChIKeyRGIITKVKXOWYLV-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.47
Rot. Bonds6

About 2-methyl-6-(oxan-2-yloxy)hexan-2-ol

2-methyl-6-(oxan-2-yloxy)hexan-2-ol (PubChem CID 10727469) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-6-(oxan-2-yloxy)hexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-(oxan-2-yloxy)hexan-2-ol
PubChem CID10727469
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methyl-6-(oxan-2-yloxy)hexan-2-ol
SMILESCC(C)(O)CCCCOC1CCCCO1
InChIInChI=1S/C12H24O3/c1-12(2,13)8-4-6-10-15-11-7-3-5-9-14-11/h11,13H,3-10H2,1-2H3
InChIKeyRGIITKVKXOWYLV-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
CID 19088341
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(12-bromododecoxy)oxane
CID 11078592
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxan-2-yloxy)hexan-2-ol?
The IUPAC name of 2-methyl-6-(oxan-2-yloxy)hexan-2-ol (CID 10727469) is 2-methyl-6-(oxan-2-yloxy)hexan-2-ol.
What is the SMILES notation for 2-methyl-6-(oxan-2-yloxy)hexan-2-ol?
The canonical SMILES for 2-methyl-6-(oxan-2-yloxy)hexan-2-ol is CC(C)(O)CCCCOC1CCCCO1.
What is the InChIKey of 2-methyl-6-(oxan-2-yloxy)hexan-2-ol?
The InChIKey is RGIITKVKXOWYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-12(2,13)8-4-6-10-15-11-7-3-5-9-14-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-methyl-6-(oxan-2-yloxy)hexan-2-ol?
2-methyl-6-(oxan-2-yloxy)hexan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-2-yloxy)hexan-2-ol is sourced from PubChem (CID 10727469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).