(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol

C16H32O5 — CID 163610250

IUPAC(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC(O)COC1C(O)[C@H](OC(C)(C)C)CO[C@H]1C(C)(C)C
InChIInChI=1S/C16H32O5/c1-10(17)8-19-13-12(18)11(21-16(5,6)7)9-20-14(13)15(2,3)4/h10-14,17-18H,8-9H2,1-7H3/t10?,11-,12?,13?,14-/m1/s1
InChIKeyHFGXVPAEDSWVBX-YZYFRFPQSA-N
MW304.43 g/mol
LogP1.74
Rot. Bonds4

About (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol

(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol (PubChem CID 163610250) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
PubChem CID163610250
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC(O)COC1C(O)[C@H](OC(C)(C)C)CO[C@H]1C(C)(C)C
InChIInChI=1S/C16H32O5/c1-10(17)8-19-13-12(18)11(21-16(5,6)7)9-20-14(13)15(2,3)4/h10-14,17-18H,8-9H2,1-7H3/t10?,11-,12?,13?,14-/m1/s1
InChIKeyHFGXVPAEDSWVBX-YZYFRFPQSA-N
XLogP1.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The IUPAC name of (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol (CID 163610250) is (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol.
What is the SMILES notation for (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The canonical SMILES for (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol is CC(O)COC1C(O)[C@H](OC(C)(C)C)CO[C@H]1C(C)(C)C.
What is the InChIKey of (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The InChIKey is HFGXVPAEDSWVBX-YZYFRFPQSA-N. The full InChI is InChI=1S/C16H32O5/c1-10(17)8-19-13-12(18)11(21-16(5,6)7)9-20-14(13)15(2,3)4/h10-14,17-18H,8-9H2,1-7H3/t10?,11-,12?,13?,14-/m1/s1.
What are the key properties of (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol?
(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol has a molecular weight of 304.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol is sourced from PubChem (CID 163610250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).