(5R)-5-methyloxan-2-ol

C6H12O2 — CID 159421753

IUPAC(5R)-5-methyloxan-2-ol
SMILESC[C@@H]1CCC(O)OC1
InChIInChI=1S/C6H12O2/c1-5-2-3-6(7)8-4-5/h5-7H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyXYTJEQXHDFWATK-LWOQYNTDSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds

About (5R)-5-methyloxan-2-ol

(5R)-5-methyloxan-2-ol (PubChem CID 159421753) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (5R)-5-methyloxan-2-ol.

Molecular Properties

Compound Name(5R)-5-methyloxan-2-ol
PubChem CID159421753
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(5R)-5-methyloxan-2-ol
SMILESC[C@@H]1CCC(O)OC1
InChIInChI=1S/C6H12O2/c1-5-2-3-6(7)8-4-5/h5-7H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyXYTJEQXHDFWATK-LWOQYNTDSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol
CID 163690105
4-methyloxolan-2-ol
CID 11007834
oxane-2,5-diol
CID 14502564
(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane
CID 44606708
4-methylcyclohexan-1-ol
CID 11524
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
(2R,5R)-1,4-dioxane-2,5-diol
CID 7269377
5-methyl-2-methyliodanuidyloxane
CID 148963001
5-methylmorpholin-2-ol
CID 105427098
(2R)-2-ethyl-5-methyloxane
CID 146845250
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
5-ethylsulfanyloxan-2-ol
CID 130129841

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyloxan-2-ol?
The IUPAC name of (5R)-5-methyloxan-2-ol (CID 159421753) is (5R)-5-methyloxan-2-ol.
What is the SMILES notation for (5R)-5-methyloxan-2-ol?
The canonical SMILES for (5R)-5-methyloxan-2-ol is C[C@@H]1CCC(O)OC1.
What is the InChIKey of (5R)-5-methyloxan-2-ol?
The InChIKey is XYTJEQXHDFWATK-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-2-3-6(7)8-4-5/h5-7H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of (5R)-5-methyloxan-2-ol?
(5R)-5-methyloxan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyloxan-2-ol is sourced from PubChem (CID 159421753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).