[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate

C16H27NO6 — CID 143232952

IUPAC[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate
SMILESCCC(C)/C=C/C(CC(OC(C)=O)C(OC)C(N)=O)OC(C)=O
InChIInChI=1S/C16H27NO6/c1-6-10(2)7-8-13(22-11(3)18)9-14(23-12(4)19)15(21-5)16(17)20/h7-8,10,13-15H,6,9H2,1-5H3,(H2,17,20)/b8-7+
InChIKeyLFUQDQLBOAQAIY-BQYQJAHWSA-N
MW329.39 g/mol
LogP1.34
Rot. Bonds10

About [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate

[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate (PubChem CID 143232952) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate.

Molecular Properties

Compound Name[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate
PubChem CID143232952
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate
SMILESCCC(C)/C=C/C(CC(OC(C)=O)C(OC)C(N)=O)OC(C)=O
InChIInChI=1S/C16H27NO6/c1-6-10(2)7-8-13(22-11(3)18)9-14(23-12(4)19)15(21-5)16(17)20/h7-8,10,13-15H,6,9H2,1-5H3,(H2,17,20)/b8-7+
InChIKeyLFUQDQLBOAQAIY-BQYQJAHWSA-N
XLogP1.34
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,5-dimethoxy-8-methyldec-6-enamide
CID 143232971
[(2R,3R,4R)-2,3,4-triacetyloxy-5-amino-5-oxopentyl] acetate
CID 2729263
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
propan-2-yl (2S,3R)-2,3-diacetyloxy-5-methylhexanoate
CID 153499594
(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
CID 139334876
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
3,6-dimethyloct-4-ene
CID 73165576
[(E,3S)-hept-4-en-6-yn-3-yl] acetate
CID 11499246
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2R,3R,4S,5R)-3,4-diacetyloxy-2-methoxy-8-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]dec-6-en-5-yl] acetate
CID 91434002
ethyl (E)-5-acetyloxy-4-methylhept-2-enoate
CID 14101659
[(3R)-pent-1-en-3-yl] acetate
CID 92859949

Frequently Asked Questions

What is the IUPAC name of [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate?
The IUPAC name of [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate (CID 143232952) is [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate.
What is the SMILES notation for [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate?
The canonical SMILES for [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate is CCC(C)/C=C/C(CC(OC(C)=O)C(OC)C(N)=O)OC(C)=O.
What is the InChIKey of [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate?
The InChIKey is LFUQDQLBOAQAIY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H27NO6/c1-6-10(2)7-8-13(22-11(3)18)9-14(23-12(4)19)15(21-5)16(17)20/h7-8,10,13-15H,6,9H2,1-5H3,(H2,17,20)/b8-7+.
What are the key properties of [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate?
[(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate has a molecular weight of 329.39 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-acetyloxy-1-amino-2-methoxy-8-methyl-1-oxodec-6-en-5-yl] acetate is sourced from PubChem (CID 143232952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).