2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol

C16H33NO4 — CID 123355857

IUPAC2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCN(C)C1C(O)C(OC(C)(C)C)C(CO)OC1C(C)(C)C
InChIInChI=1S/C16H33NO4/c1-15(2,3)14-11(17(7)8)12(19)13(10(9-18)20-14)21-16(4,5)6/h10-14,18-19H,9H2,1-8H3
InChIKeyQOFPMXZKRFQMCC-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.27
Rot. Bonds3

About 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol

2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol (PubChem CID 123355857) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol.

Molecular Properties

Compound Name2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
PubChem CID123355857
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCN(C)C1C(O)C(OC(C)(C)C)C(CO)OC1C(C)(C)C
InChIInChI=1S/C16H33NO4/c1-15(2,3)14-11(17(7)8)12(19)13(10(9-18)20-14)21-16(4,5)6/h10-14,18-19H,9H2,1-8H3
InChIKeyQOFPMXZKRFQMCC-UHFFFAOYSA-N
XLogP1.27
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155283405
[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite
CID 129254497
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170688493
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 11160276
(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
CID 70675474
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
4-[[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]amino]-4-oxobutanoic acid
CID 167048497

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The IUPAC name of 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol (CID 123355857) is 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol.
What is the SMILES notation for 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The canonical SMILES for 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol is CN(C)C1C(O)C(OC(C)(C)C)C(CO)OC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The InChIKey is QOFPMXZKRFQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-15(2,3)14-11(17(7)8)12(19)13(10(9-18)20-14)21-16(4,5)6/h10-14,18-19H,9H2,1-8H3.
What are the key properties of 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol has a molecular weight of 303.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol is sourced from PubChem (CID 123355857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).