[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol

C6H12O2 — CID 131106641

IUPAC[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)O1
InChIInChI=1S/C6H12O2/c1-5-3-6(2,4-7)8-5/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyVOLGVHLDCZIYPK-WDSKDSINSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol

[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol (PubChem CID 131106641) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
PubChem CID131106641
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
SMILESC[C@H]1C[C@@](C)(CO)O1
InChIInChI=1S/C6H12O2/c1-5-3-6(2,4-7)8-5/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyVOLGVHLDCZIYPK-WDSKDSINSA-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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Related Compounds

[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
CID 86080734
(2,4,6,6-tetramethyloxan-2-yl)methanol
CID 144570256
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
[(2S,4R)-2-tert-butyl-4-methyl-1,3-dioxolan-4-yl]methanol
CID 101372590
2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
CID 123283726
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
CID 153447617
[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol
CID 15657495
2-ethyl-2,6-dimethylmorpholine
CID 65102213

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol?
The IUPAC name of [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol (CID 131106641) is [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol is C[C@H]1C[C@@](C)(CO)O1.
What is the InChIKey of [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol?
The InChIKey is VOLGVHLDCZIYPK-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-6(2,4-7)8-5/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol?
[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol 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 [(2S,4S)-2,4-dimethyloxetan-2-yl]methanol is sourced from PubChem (CID 131106641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).