[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol

C10H20O2 — CID 163662814

IUPAC[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
SMILESC[C@@H]1[C@H](C)[C@@H](C)O[C@H](CO)[C@H]1C
InChIInChI=1S/C10H20O2/c1-6-7(2)9(4)12-10(5-11)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyXIDXSEGBWJXZLM-SOYHJAILSA-N
MW172.27 g/mol
LogP1.67
Rot. Bonds1

About [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol

[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol (PubChem CID 163662814) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
PubChem CID163662814
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
SMILESC[C@@H]1[C@H](C)[C@@H](C)O[C@H](CO)[C@H]1C
InChIInChI=1S/C10H20O2/c1-6-7(2)9(4)12-10(5-11)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyXIDXSEGBWJXZLM-SOYHJAILSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
[(3S,4S,6R)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R)-2-(hydroxymethyl)-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methanol
CID 157185741
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
CID 76558929

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol (CID 163662814) is [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol is C[C@@H]1[C@H](C)[C@@H](C)O[C@H](CO)[C@H]1C.
What is the InChIKey of [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol?
The InChIKey is XIDXSEGBWJXZLM-SOYHJAILSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-7(2)9(4)12-10(5-11)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1.
What are the key properties of [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol?
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol is sourced from PubChem (CID 163662814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).