[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate

C17H28NO6P-2 — CID 91935480

IUPAC[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CONC(=O)COP(=O)([O-])[O-]
InChIInChI=1S/C17H30NO6P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24-25(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/p-2/b15-9+,16-11+
InChIKeyRMCWKOUAIHAKDP-XGGJEREUSA-L
MW373.39 g/mol
LogP2.30
Rot. Bonds12

About [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate

[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate (PubChem CID 91935480) has the molecular formula C17H28NO6P-2 and a molecular weight of 373.39 g/mol. Its IUPAC name is [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate.

Molecular Properties

Compound Name[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate
PubChem CID91935480
Molecular FormulaC17H28NO6P-2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC Name[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CONC(=O)COP(=O)([O-])[O-]
InChIInChI=1S/C17H30NO6P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24-25(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/p-2/b15-9+,16-11+
InChIKeyRMCWKOUAIHAKDP-XGGJEREUSA-L
XLogP2.30
TPSA110.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate
CID 25245635
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
[2-methyl-4-oxo-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphonic acid
CID 173216504
disodium;[(2Z,6Z,10Z,14Z,19E,23Z,27Z,31E,35E,39E)-3,7,11,15,20,24,28,32,36,40,44-undecamethylpentatetraconta-2,6,10,14,19,23,27,31,35,39,43-undecaenyl] phosphate
CID 10509982
[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 25245563
[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 134692049
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 10357552
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;3,7,11-trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 174760400
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
CID 11388871

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate?
The IUPAC name of [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate (CID 91935480) is [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate.
What is the SMILES notation for [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate?
The canonical SMILES for [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C/CONC(=O)COP(=O)([O-])[O-].
What is the InChIKey of [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate?
The InChIKey is RMCWKOUAIHAKDP-XGGJEREUSA-L. The full InChI is InChI=1S/C17H30NO6P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24-25(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/p-2/b15-9+,16-11+.
What are the key properties of [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate?
[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate has a molecular weight of 373.39 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate is sourced from PubChem (CID 91935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).