methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate

C16H24F2O8 — CID 91162524

IUPACmethyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate
SMILESCOC(=O)C1(F)OC(C(OC)C(COC(C)=O)OC(C)=O)C(C)CC1F
InChIInChI=1S/C16H24F2O8/c1-8-6-12(17)16(18,15(21)23-5)26-13(8)14(22-4)11(25-10(3)20)7-24-9(2)19/h8,11-14H,6-7H2,1-5H3
InChIKeyCFPDAVUMUMLAMV-UHFFFAOYSA-N
MW382.36 g/mol
LogP1.10
Rot. Bonds7

About methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate

methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate (PubChem CID 91162524) has the molecular formula C16H24F2O8 and a molecular weight of 382.36 g/mol. Its IUPAC name is methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate
PubChem CID91162524
Molecular FormulaC16H24F2O8
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Namemethyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate
SMILESCOC(=O)C1(F)OC(C(OC)C(COC(C)=O)OC(C)=O)C(C)CC1F
InChIInChI=1S/C16H24F2O8/c1-8-6-12(17)16(18,15(21)23-5)26-13(8)14(22-4)11(25-10(3)20)7-24-9(2)19/h8,11-14H,6-7H2,1-5H3
InChIKeyCFPDAVUMUMLAMV-UHFFFAOYSA-N
XLogP1.10
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate with MolForge

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Related Compounds

3-Propoxy-6-[4-(2,2,2-trifluoroethyl)cyclohexyl]oxan-2-one
CID 57938178
(2R,4S,5R)-2,3-difluoro-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 68152538
2,3-Difluoro-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 77455219
2,3-difluoro-4,5-dimethyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 89708802
octyl 2,3-difluoro-4,5-dimethyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 89708803
methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate
CID 90352397
Methyl 2,4-diacetyloxy-3-fluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 90788373
Methyl 4-(cyanomethoxy)-2,3-difluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 91159713
Methyl 4-acetyloxy-2,3-difluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 91193405
2,3-Difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 91256816
Methyl 2,3-difluoro-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 91583780
Methyl 2-acetyloxy-3-fluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 91589603

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate?
The IUPAC name of methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate (CID 91162524) is methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate?
The canonical SMILES for methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate is COC(=O)C1(F)OC(C(OC)C(COC(C)=O)OC(C)=O)C(C)CC1F.
What is the InChIKey of methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate?
The InChIKey is CFPDAVUMUMLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O8/c1-8-6-12(17)16(18,15(21)23-5)26-13(8)14(22-4)11(25-10(3)20)7-24-9(2)19/h8,11-14H,6-7H2,1-5H3.
What are the key properties of methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate?
methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate has a molecular weight of 382.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-diacetyloxy-1-methoxypropyl)-2,3-difluoro-5-methyloxane-2-carboxylate is sourced from PubChem (CID 91162524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).