6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol

C20H40O6 — CID 123753294

IUPAC6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
SMILESCC(C)OC1C(CO)OC(C(C)(C)OC(C)(C)CC(C)(C)C)C(O)C1O
InChIInChI=1S/C20H40O6/c1-12(2)24-16-13(10-21)25-17(15(23)14(16)22)20(8,9)26-19(6,7)11-18(3,4)5/h12-17,21-23H,10-11H2,1-9H3
InChIKeyAEHPBSVLMYDJCE-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.27
Rot. Bonds7

About 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol

6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol (PubChem CID 123753294) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
PubChem CID123753294
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
SMILESCC(C)OC1C(CO)OC(C(C)(C)OC(C)(C)CC(C)(C)C)C(O)C1O
InChIInChI=1S/C20H40O6/c1-12(2)24-16-13(10-21)25-17(15(23)14(16)22)20(8,9)26-19(6,7)11-18(3,4)5/h12-17,21-23H,10-11H2,1-9H3
InChIKeyAEHPBSVLMYDJCE-UHFFFAOYSA-N
XLogP2.27
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol with MolForge

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Related Compounds

6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
CID 166948238
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-propan-2-yloxy-6-sulfanyloxane-3,4-diol
CID 87069861
2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 134345194
(3S,4R,5S,6R)-4,5-dihydroxy-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxane-2-carboxylic acid
CID 155296683
(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 130346645
2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol
CID 129136625
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol (CID 123753294) is 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol is CC(C)OC1C(CO)OC(C(C)(C)OC(C)(C)CC(C)(C)C)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol?
The InChIKey is AEHPBSVLMYDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6/c1-12(2)24-16-13(10-21)25-17(15(23)14(16)22)20(8,9)26-19(6,7)11-18(3,4)5/h12-17,21-23H,10-11H2,1-9H3.
What are the key properties of 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol?
6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol has a molecular weight of 376.53 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol is sourced from PubChem (CID 123753294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).