(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol

C13H26O6 — CID 23272614

IUPAC(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
SMILESCCCCO[C@@H]1O[C@H](C(COC)OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C13H26O6/c1-5-6-7-18-13-10(14)12(17-4)11(19-13)9(16-3)8-15-2/h9-14H,5-8H2,1-4H3/t9?,10-,11-,12-,13-/m1/s1
InChIKeyWXGLPXYTAZYKMP-SFPZXJLLSA-N
MW278.34 g/mol
LogP0.57
Rot. Bonds9

About (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol

(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol (PubChem CID 23272614) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
PubChem CID23272614
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
SMILESCCCCO[C@@H]1O[C@H](C(COC)OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C13H26O6/c1-5-6-7-18-13-10(14)12(17-4)11(19-13)9(16-3)8-15-2/h9-14H,5-8H2,1-4H3/t9?,10-,11-,12-,13-/m1/s1
InChIKeyWXGLPXYTAZYKMP-SFPZXJLLSA-N
XLogP0.57
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-[1-[(3S,4R,5R)-3,4-dimethoxy-5-octoxyoxolan-2-yl]-2-methoxyethoxy]oxolane-3,4-diol
CID 509038
(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
CID 22215467
2-(1,2-dimethoxyethyl)-3,4,5,6-tetramethoxyoxane
CID 560407
1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea
CID 22816410
[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate
CID 568173
5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
CID 59978057
(2R,3R,4R,5S,6R)-2-hexoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 154702612
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol (CID 23272614) is (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol is CCCCO[C@@H]1O[C@H](C(COC)OC)[C@H](OC)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The InChIKey is WXGLPXYTAZYKMP-SFPZXJLLSA-N. The full InChI is InChI=1S/C13H26O6/c1-5-6-7-18-13-10(14)12(17-4)11(19-13)9(16-3)8-15-2/h9-14H,5-8H2,1-4H3/t9?,10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
(2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol has a molecular weight of 278.34 g/mol, XLogP of 0.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-butoxy-5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol is sourced from PubChem (CID 23272614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).