[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate

C14H25NO4 — CID 134963865

IUPAC[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate
SMILESC=CC(CCCCCCCC(=O)NOC)OC(C)=O
InChIInChI=1S/C14H25NO4/c1-4-13(19-12(2)16)10-8-6-5-7-9-11-14(17)15-18-3/h4,13H,1,5-11H2,2-3H3,(H,15,17)
InChIKeySGUFFWSBLGEKSF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.51
Rot. Bonds11

About [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate

[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate (PubChem CID 134963865) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate.

Molecular Properties

Compound Name[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate
PubChem CID134963865
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate
SMILESC=CC(CCCCCCCC(=O)NOC)OC(C)=O
InChIInChI=1S/C14H25NO4/c1-4-13(19-12(2)16)10-8-6-5-7-9-11-14(17)15-18-3/h4,13H,1,5-11H2,2-3H3,(H,15,17)
InChIKeySGUFFWSBLGEKSF-UHFFFAOYSA-N
XLogP2.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
undec-1-en-3-yl acetate
CID 3023472
[(3S)-14-oxotetradec-1-en-3-yl] acetate
CID 102173042
N-methoxy-7-methyloctanamide
CID 174552254
6-iodohex-1-en-3-yl acetate
CID 10858470
3-acetyloxypent-4-enyl acetate
CID 12815001
7-oxohept-1-en-3-yl acetate
CID 11052076
6-chloro-N-methoxyhexanamide
CID 90073847
[(3R)-pent-1-en-3-yl] acetate
CID 92859949
N-methoxy-9-oxononanamide
CID 144851599
1-chlorobut-3-en-2-yl acetate
CID 12671643
5-acetyloxydeca-3,9-dienyl acetate
CID 88786521

Frequently Asked Questions

What is the IUPAC name of [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate?
The IUPAC name of [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate (CID 134963865) is [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate.
What is the SMILES notation for [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate?
The canonical SMILES for [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate is C=CC(CCCCCCCC(=O)NOC)OC(C)=O.
What is the InChIKey of [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate?
The InChIKey is SGUFFWSBLGEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-13(19-12(2)16)10-8-6-5-7-9-11-14(17)15-18-3/h4,13H,1,5-11H2,2-3H3,(H,15,17).
What are the key properties of [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate?
[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate has a molecular weight of 271.36 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate is sourced from PubChem (CID 134963865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).