2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol

C11H22O4 — CID 59796268

IUPAC2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCC1(O)C(O)C(CO)OC1C(C)(C)C
InChIInChI=1S/C11H22O4/c1-5-11(14)8(13)7(6-12)15-9(11)10(2,3)4/h7-9,12-14H,5-6H2,1-4H3
InChIKeyUFKAGEQJIUINML-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.29
Rot. Bonds2

About 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol

2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 59796268) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID59796268
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCC1(O)C(O)C(CO)OC1C(C)(C)C
InChIInChI=1S/C11H22O4/c1-5-11(14)8(13)7(6-12)15-9(11)10(2,3)4/h7-9,12-14H,5-6H2,1-4H3
InChIKeyUFKAGEQJIUINML-UHFFFAOYSA-N
XLogP0.29
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 88980068
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 86586078
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
CID 88533408
CID 88533408
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
CID 162602817
CID 162602817

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 59796268) is 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is CCC1(O)C(O)C(CO)OC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is UFKAGEQJIUINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-11(14)8(13)7(6-12)15-9(11)10(2,3)4/h7-9,12-14H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 218.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 59796268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).