(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium

C15H21O4P — CID 174212000

IUPAC(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium
SMILESCCO/[P+]([O-])=C/CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C15H21O4P/c1-2-19-20(17)12-8-4-7-11-15(16)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,12H,2,4,7-8,11,13H2,1H3
InChIKeyGXWCYJKZBXEUGK-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.80
Rot. Bonds9

About (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium

(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium (PubChem CID 174212000) has the molecular formula C15H21O4P and a molecular weight of 296.30 g/mol. Its IUPAC name is (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium.

Molecular Properties

Compound Name(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium
PubChem CID174212000
Molecular FormulaC15H21O4P
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium
SMILESCCO/[P+]([O-])=C/CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C15H21O4P/c1-2-19-20(17)12-8-4-7-11-15(16)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,12H,2,4,7-8,11,13H2,1H3
InChIKeyGXWCYJKZBXEUGK-UHFFFAOYSA-N
XLogP2.80
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CID 151994242
benzyl heptadecanoate
CID 522569
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
benzyl (Z)-hept-5-enoate
CID 163975250
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
benzyl 12-oxotridecanoate
CID 21035822
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 5-hydroxypentanoate
CID 19788674
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl (E)-17-diethoxyphosphoryl-17-fluoroheptadec-16-enoate
CID 154643193
2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
CID 121350347

Frequently Asked Questions

What is the IUPAC name of (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium?
The IUPAC name of (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium (CID 174212000) is (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium.
What is the SMILES notation for (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium?
The canonical SMILES for (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium is CCO/[P+]([O-])=C/CCCCC(=O)OCc1ccccc1.
What is the InChIKey of (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium?
The InChIKey is GXWCYJKZBXEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O4P/c1-2-19-20(17)12-8-4-7-11-15(16)18-13-14-9-5-3-6-10-14/h3,5-6,9-10,12H,2,4,7-8,11,13H2,1H3.
What are the key properties of (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium?
(E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium has a molecular weight of 296.30 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethoxy-oxido-(6-oxo-6-phenylmethoxyhexylidene)phosphanium is sourced from PubChem (CID 174212000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).