[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate

C13H24O6 — CID 16745162

IUPAC[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate
SMILESCCCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C13H24O6/c1-5-6-17-7-11-13(19-9(2)14)12(16-4)10(15-3)8-18-11/h10-13H,5-8H2,1-4H3/t10-,11+,12+,13+/m0/s1
InChIKeyDRDBNTRWWGXMFB-UMSGYPCISA-N
MW276.33 g/mol
LogP0.77
Rot. Bonds7

About [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate

[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate (PubChem CID 16745162) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate
PubChem CID16745162
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate
SMILESCCCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C13H24O6/c1-5-6-17-7-11-13(19-9(2)14)12(16-4)10(15-3)8-18-11/h10-13H,5-8H2,1-4H3/t10-,11+,12+,13+/m0/s1
InChIKeyDRDBNTRWWGXMFB-UMSGYPCISA-N
XLogP0.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R,5S)-4-butoxy-2-(butoxymethyl)-5-methoxyoxan-3-yl] acetate
CID 100927783
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
(4-acetyloxy-3,5-dimethoxyoxan-2-yl)methyl acetate
CID 526606
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
CID 526631
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-propyloxan-3-yl] acetate
CID 173417259
(3R)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122461193
(2S,3S,4S,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122576492

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate (CID 16745162) is [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate is CCCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate?
The InChIKey is DRDBNTRWWGXMFB-UMSGYPCISA-N. The full InChI is InChI=1S/C13H24O6/c1-5-6-17-7-11-13(19-9(2)14)12(16-4)10(15-3)8-18-11/h10-13H,5-8H2,1-4H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate?
[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate has a molecular weight of 276.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 16745162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).