2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol

C14H28O5 — CID 129136625

IUPAC2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol
SMILESCCOC(C)(C)C1OC(CO)C(C(C)C)C(O)C1O
InChIInChI=1S/C14H28O5/c1-6-18-14(4,5)13-12(17)11(16)10(8(2)3)9(7-15)19-13/h8-13,15-17H,6-7H2,1-5H3
InChIKeyRPOSWFXGJHVFPP-UHFFFAOYSA-N
MW276.37 g/mol
LogP0.56
Rot. Bonds5

About 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol

2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol (PubChem CID 129136625) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol
PubChem CID129136625
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol
SMILESCCOC(C)(C)C1OC(CO)C(C(C)C)C(O)C1O
InChIInChI=1S/C14H28O5/c1-6-18-14(4,5)13-12(17)11(16)10(8(2)3)9(7-15)19-13/h8-13,15-17H,6-7H2,1-5H3
InChIKeyRPOSWFXGJHVFPP-UHFFFAOYSA-N
XLogP0.56
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol;propane
CID 145016589
2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
CID 134313664
(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
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
CID 147504742
6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
CID 123753294
(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-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
CID 153348400
6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
CID 167208192
3-amino-2,5-di(propan-2-yl)-6-(propoxymethyl)oxan-4-ol
CID 139493099

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol (CID 129136625) is 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol is CCOC(C)(C)C1OC(CO)C(C(C)C)C(O)C1O.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol?
The InChIKey is RPOSWFXGJHVFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-6-18-14(4,5)13-12(17)11(16)10(8(2)3)9(7-15)19-13/h8-13,15-17H,6-7H2,1-5H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol?
2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol has a molecular weight of 276.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-6-(hydroxymethyl)-5-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 129136625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).