[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate

C14H25NO6 — CID 134167079

IUPAC[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OCCN)C(C)C(OC(C)=O)C1C
InChIInChI=1S/C14H25NO6/c1-8-12(7-19-10(3)16)21-14(18-6-5-15)9(2)13(8)20-11(4)17/h8-9,12-14H,5-7,15H2,1-4H3
InChIKeySSIVSHPKWZOJOJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.45
Rot. Bonds6

About [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate

[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate (PubChem CID 134167079) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate
PubChem CID134167079
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(OCCN)C(C)C(OC(C)=O)C1C
InChIInChI=1S/C14H25NO6/c1-8-12(7-19-10(3)16)21-14(18-6-5-15)9(2)13(8)20-11(4)17/h8-9,12-14H,5-7,15H2,1-4H3
InChIKeySSIVSHPKWZOJOJ-UHFFFAOYSA-N
XLogP0.45
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-acetyloxy-6-(acetyloxymethyl)-3,5-dimethyloxan-2-yl]oxybutanoic acid
CID 134167078
[(2R,3S,4R,5R)-4,5,6-triacetyloxy-3-methyloxan-2-yl]methyl acetate
CID 158494723
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-aminopentoxy)oxan-2-yl]methyl acetate
CID 101189145
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
10-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxydecanoic acid
CID 158748790
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(2-chloroethoxy)oxolan-2-yl]methyl acetate
CID 101089484
[(3S,4S,6S)-5-acetyloxy-6-[(3S,4S,6R)-5-acetyloxy-6-[(3S,4S,6S)-5-acetyloxy-2-(acetyloxymethyl)-4,6-dimethyloxan-3-yl]oxy-2-(acetyloxymethyl)-4-methyloxan-3-yl]oxy-3,4-dimethyloxan-2-yl]methyl acetate
CID 126550256
[(3S,6R)-3,4-diacetyloxy-6-[(2R,4S,5R)-3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl]oxy-5-methyloxan-2-yl]methyl acetate
CID 70905933
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate
CID 101195978
(4-acetyloxy-3-methyl-5-nitrosooxolan-2-yl)methyl acetate
CID 90997769
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate?
The IUPAC name of [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate (CID 134167079) is [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate.
What is the SMILES notation for [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate?
The canonical SMILES for [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate is CC(=O)OCC1OC(OCCN)C(C)C(OC(C)=O)C1C.
What is the InChIKey of [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate?
The InChIKey is SSIVSHPKWZOJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-8-12(7-19-10(3)16)21-14(18-6-5-15)9(2)13(8)20-11(4)17/h8-9,12-14H,5-7,15H2,1-4H3.
What are the key properties of [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate?
[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate has a molecular weight of 303.36 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate is sourced from PubChem (CID 134167079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).