ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate

C10H21N2O5P — CID 23264654

IUPACethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21N2O5P/c1-6-15-10(13)7-11-12-18(14,16-8(2)3)17-9(4)5/h7-9H,6H2,1-5H3,(H,12,14)/b11-7+
InChIKeyLTIDILOTTTUTFB-YRNVUSSQSA-N
MW280.26 g/mol
LogP2.08
Rot. Bonds8

About ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate

ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate (PubChem CID 23264654) has the molecular formula C10H21N2O5P and a molecular weight of 280.26 g/mol. Its IUPAC name is ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate
PubChem CID23264654
Molecular FormulaC10H21N2O5P
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC Nameethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21N2O5P/c1-6-15-10(13)7-11-12-18(14,16-8(2)3)17-9(4)5/h7-9H,6H2,1-5H3,(H,12,14)/b11-7+
InChIKeyLTIDILOTTTUTFB-YRNVUSSQSA-N
XLogP2.08
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
CID 89292583
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
(E)-1-ethoxy-2-[(2-ethoxy-2-oxoethylidene)amino]ethenolate
CID 146163511
2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate
CID 23268247
ethyl (2E)-2-methylsulfonyliminoacetate
CID 177403590
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate
CID 175254321
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
CID 175981441

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate (CID 23264654) is ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate is CCOC(=O)/C=N/NP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate?
The InChIKey is LTIDILOTTTUTFB-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H21N2O5P/c1-6-15-10(13)7-11-12-18(14,16-8(2)3)17-9(4)5/h7-9H,6H2,1-5H3,(H,12,14)/b11-7+.
What are the key properties of ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate?
ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate has a molecular weight of 280.26 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate is sourced from PubChem (CID 23264654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).