(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol

C9H18O3 — CID 168899706

IUPAC(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
SMILESCC1C(O)[C@@H](C)OC(CO)[C@@H]1C
InChIInChI=1S/C9H18O3/c1-5-6(2)9(11)7(3)12-8(5)4-10/h5-11H,4H2,1-3H3/t5-,6?,7-,8?,9?/m1/s1
InChIKeyXXSAHAWPGNODHN-WCYMSPOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds1

About (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol

(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol (PubChem CID 168899706) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
PubChem CID168899706
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
SMILESCC1C(O)[C@@H](C)OC(CO)[C@@H]1C
InChIInChI=1S/C9H18O3/c1-5-6(2)9(11)7(3)12-8(5)4-10/h5-11H,4H2,1-3H3/t5-,6?,7-,8?,9?/m1/s1
InChIKeyXXSAHAWPGNODHN-WCYMSPOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol?
The IUPAC name of (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol (CID 168899706) is (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol.
What is the SMILES notation for (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol?
The canonical SMILES for (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol is CC1C(O)[C@@H](C)OC(CO)[C@@H]1C.
What is the InChIKey of (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol?
The InChIKey is XXSAHAWPGNODHN-WCYMSPOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-6(2)9(11)7(3)12-8(5)4-10/h5-11H,4H2,1-3H3/t5-,6?,7-,8?,9?/m1/s1.
What are the key properties of (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol?
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol has a molecular weight of 174.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol is sourced from PubChem (CID 168899706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).