(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol

C8H16O3 — CID 134289608

IUPAC(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
SMILESC[C@H]1CO[C@H](CO)C(C)(O)C1
InChIInChI=1S/C8H16O3/c1-6-3-8(2,10)7(4-9)11-5-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8?/m1/s1
InChIKeyYLELMJRFLBFIKR-GCJDJSOWSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds1

About (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol

(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol (PubChem CID 134289608) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
PubChem CID134289608
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
SMILESC[C@H]1CO[C@H](CO)C(C)(O)C1
InChIInChI=1S/C8H16O3/c1-6-3-8(2,10)7(4-9)11-5-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8?/m1/s1
InChIKeyYLELMJRFLBFIKR-GCJDJSOWSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-3-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 174354499
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
dimethyl (2S,5R)-2-ethyl-5-methyloxane-3,3-dicarboxylate
CID 101361855
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(2R)-2-(hydroxymethyl)oxolane-3,3,4,4-tetrol
CID 173354418
2-(hydroxymethyl)-3,4,5-trimethyloxane-3,4,5-triol
CID 23530499
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(5R)-3,5-dimethyloxan-3-ol
CID 134289610
(6S)-2-(hydroxymethyl)-6-methyloxane-3,3,5-triol
CID 89291396
(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 45103169

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol?
The IUPAC name of (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol (CID 134289608) is (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol.
What is the SMILES notation for (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol?
The canonical SMILES for (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol is C[C@H]1CO[C@H](CO)C(C)(O)C1.
What is the InChIKey of (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol?
The InChIKey is YLELMJRFLBFIKR-GCJDJSOWSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-3-8(2,10)7(4-9)11-5-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7-,8?/m1/s1.
What are the key properties of (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol?
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol is sourced from PubChem (CID 134289608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).