(1E)-1-phenylmethoxyiminodecan-2-one

C17H25NO2 — CID 15882423

IUPAC(1E)-1-phenylmethoxyiminodecan-2-one
SMILESCCCCCCCCC(=O)/C=N/OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-17(19)14-18-20-15-16-11-8-7-9-12-16/h7-9,11-12,14H,2-6,10,13,15H2,1H3/b18-14+
InChIKeyQLXKJVKTFMLLOQ-NBVRZTHBSA-N
MW275.39 g/mol
LogP4.51
Rot. Bonds11

About (1E)-1-phenylmethoxyiminodecan-2-one

(1E)-1-phenylmethoxyiminodecan-2-one (PubChem CID 15882423) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1E)-1-phenylmethoxyiminodecan-2-one.

Molecular Properties

Compound Name(1E)-1-phenylmethoxyiminodecan-2-one
PubChem CID15882423
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1E)-1-phenylmethoxyiminodecan-2-one
SMILESCCCCCCCCC(=O)/C=N/OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-17(19)14-18-20-15-16-11-8-7-9-12-16/h7-9,11-12,14H,2-6,10,13,15H2,1H3/b18-14+
InChIKeyQLXKJVKTFMLLOQ-NBVRZTHBSA-N
XLogP4.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
(E)-1-phenylmethoxyoct-1-en-3-one
CID 70102964
N-phenylmethoxyhexanamide
CID 60717350
benzyl heptadecanoate
CID 522569
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
N'-benzylhexadecanehydrazide
CID 154391297
benzyl 2-oxodecanoate
CID 18370296
trimethylsilyl 2-phenylmethoxyiminooctanoate
CID 561576
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
N-(2-phenylacetyl)octadecanamide
CID 175258087
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
1-phenylundec-1-en-3-one
CID 3805572

Frequently Asked Questions

What is the IUPAC name of (1E)-1-phenylmethoxyiminodecan-2-one?
The IUPAC name of (1E)-1-phenylmethoxyiminodecan-2-one (CID 15882423) is (1E)-1-phenylmethoxyiminodecan-2-one.
What is the SMILES notation for (1E)-1-phenylmethoxyiminodecan-2-one?
The canonical SMILES for (1E)-1-phenylmethoxyiminodecan-2-one is CCCCCCCCC(=O)/C=N/OCc1ccccc1.
What is the InChIKey of (1E)-1-phenylmethoxyiminodecan-2-one?
The InChIKey is QLXKJVKTFMLLOQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-17(19)14-18-20-15-16-11-8-7-9-12-16/h7-9,11-12,14H,2-6,10,13,15H2,1H3/b18-14+.
What are the key properties of (1E)-1-phenylmethoxyiminodecan-2-one?
(1E)-1-phenylmethoxyiminodecan-2-one has a molecular weight of 275.39 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-phenylmethoxyiminodecan-2-one is sourced from PubChem (CID 15882423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).