2-ethyl-6-propan-2-yloxane-3,4,5-triol

C10H20O4 — CID 71288921

IUPAC2-ethyl-6-propan-2-yloxane-3,4,5-triol
SMILESCCC1OC(C(C)C)C(O)C(O)C1O
InChIInChI=1S/C10H20O4/c1-4-6-7(11)8(12)9(13)10(14-6)5(2)3/h5-13H,4H2,1-3H3
InChIKeyIFWXAEICBKVOOF-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.10
Rot. Bonds2

About 2-ethyl-6-propan-2-yloxane-3,4,5-triol

2-ethyl-6-propan-2-yloxane-3,4,5-triol (PubChem CID 71288921) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yloxane-3,4,5-triol
PubChem CID71288921
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-ethyl-6-propan-2-yloxane-3,4,5-triol
SMILESCCC1OC(C(C)C)C(O)C(O)C1O
InChIInChI=1S/C10H20O4/c1-4-6-7(11)8(12)9(13)10(14-6)5(2)3/h5-13H,4H2,1-3H3
InChIKeyIFWXAEICBKVOOF-UHFFFAOYSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
2-ethyl-3-propan-2-yloxirane
CID 22934413
(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 118014534
(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
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(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
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yloxane-3,4,5-triol?
The IUPAC name of 2-ethyl-6-propan-2-yloxane-3,4,5-triol (CID 71288921) is 2-ethyl-6-propan-2-yloxane-3,4,5-triol.
What is the SMILES notation for 2-ethyl-6-propan-2-yloxane-3,4,5-triol?
The canonical SMILES for 2-ethyl-6-propan-2-yloxane-3,4,5-triol is CCC1OC(C(C)C)C(O)C(O)C1O.
What is the InChIKey of 2-ethyl-6-propan-2-yloxane-3,4,5-triol?
The InChIKey is IFWXAEICBKVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-6-7(11)8(12)9(13)10(14-6)5(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-propan-2-yloxane-3,4,5-triol?
2-ethyl-6-propan-2-yloxane-3,4,5-triol has a molecular weight of 204.27 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yloxane-3,4,5-triol is sourced from PubChem (CID 71288921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).