2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol

C13H26O8 — CID 59076217

IUPAC2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol
SMILESCOC[C@H]1O[C@@H](C)C(OC(OCCO)OCCO)[C@H]1OC
InChIInChI=1S/C13H26O8/c1-9-11(12(17-3)10(20-9)8-16-2)21-13(18-6-4-14)19-7-5-15/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-/m0/s1
InChIKeyWYDJYWQSCURSGE-MBYGNEARSA-N
MW310.34 g/mol
LogP-0.88
Rot. Bonds11

About 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol

2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol (PubChem CID 59076217) has the molecular formula C13H26O8 and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol
PubChem CID59076217
Molecular FormulaC13H26O8
Molecular Weight310.34 g/mol
Exact Mass310.16
IUPAC Name2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol
SMILESCOC[C@H]1O[C@@H](C)C(OC(OCCO)OCCO)[C@H]1OC
InChIInChI=1S/C13H26O8/c1-9-11(12(17-3)10(20-9)8-16-2)21-13(18-6-4-14)19-7-5-15/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-/m0/s1
InChIKeyWYDJYWQSCURSGE-MBYGNEARSA-N
XLogP-0.88
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
CID 129030971
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
4-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butan-1-ol
CID 102320502
3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 139492004
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol?
The IUPAC name of 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol (CID 59076217) is 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol.
What is the SMILES notation for 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol?
The canonical SMILES for 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol is COC[C@H]1O[C@@H](C)C(OC(OCCO)OCCO)[C@H]1OC.
What is the InChIKey of 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol?
The InChIKey is WYDJYWQSCURSGE-MBYGNEARSA-N. The full InChI is InChI=1S/C13H26O8/c1-9-11(12(17-3)10(20-9)8-16-2)21-13(18-6-4-14)19-7-5-15/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-/m0/s1.
What are the key properties of 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol?
2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol has a molecular weight of 310.34 g/mol, XLogP of -0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol is sourced from PubChem (CID 59076217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).