(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol

C11H22O4 — CID 70862657

IUPAC(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
SMILESCC[C@@H]1OC(C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O4/c1-5-6-7(12)8(13)9(14)10(15-6)11(2,3)4/h6-10,12-14H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1
InChIKeyUDDSJSWXNOIWBV-YZUYTKQYSA-N
MW218.29 g/mol
LogP0.29
Rot. Bonds1

About (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol

(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol (PubChem CID 70862657) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
PubChem CID70862657
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
SMILESCC[C@@H]1OC(C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O4/c1-5-6-7(12)8(13)9(14)10(15-6)11(2,3)4/h6-10,12-14H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1
InChIKeyUDDSJSWXNOIWBV-YZUYTKQYSA-N
XLogP0.29
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
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

Analyze (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol with MolForge

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Related Compounds

2-tert-butyl-6-ethyloxane-3,4,5-triol;6-(2-methylpropyl)oxane-2,3,4,5-tetrol
CID 159661133
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol?
The IUPAC name of (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol (CID 70862657) is (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol.
What is the SMILES notation for (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol?
The canonical SMILES for (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol is CC[C@@H]1OC(C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol?
The InChIKey is UDDSJSWXNOIWBV-YZUYTKQYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-6-7(12)8(13)9(14)10(15-6)11(2,3)4/h6-10,12-14H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1.
What are the key properties of (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol?
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol has a molecular weight of 218.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol is sourced from PubChem (CID 70862657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).