6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol

C11H22O4 — CID 59848567

IUPAC6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol
SMILESCC1C(O)OC(CC(C)(C)C)C(O)C1O
InChIInChI=1S/C11H22O4/c1-6-8(12)9(13)7(15-10(6)14)5-11(2,3)4/h6-10,12-14H,5H2,1-4H3
InChIKeyRKADMODYTXDEER-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.50
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol

6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol (PubChem CID 59848567) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol
PubChem CID59848567
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol
SMILESCC1C(O)OC(CC(C)(C)C)C(O)C1O
InChIInChI=1S/C11H22O4/c1-6-8(12)9(13)7(15-10(6)14)5-11(2,3)4/h6-10,12-14H,5H2,1-4H3
InChIKeyRKADMODYTXDEER-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5R)-2-(2,2-dimethylpropyl)-5-methyloxolane-3,4-diol
CID 160706995
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
(2R,4S,5R)-4,5-ditert-butyl-2-(2,2-dimethylpropyl)oxolan-3-ol
CID 177125372
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
CID 171051882
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol?
The IUPAC name of 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol (CID 59848567) is 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol?
The canonical SMILES for 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol is CC1C(O)OC(CC(C)(C)C)C(O)C1O.
What is the InChIKey of 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol?
The InChIKey is RKADMODYTXDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-8(12)9(13)7(15-10(6)14)5-11(2,3)4/h6-10,12-14H,5H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol?
6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol has a molecular weight of 218.29 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-3-methyloxane-2,4,5-triol is sourced from PubChem (CID 59848567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).