carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium

C26H29OP — CID 162289350

IUPACcarbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium
SMILESCCC(C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O.[CH3-]
InChIInChI=1S/C25H26OP.CH3/c1-3-22(21(2)26)19-20-27(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20,22H,3H2,1-2H3;1H3/q+1;-1
InChIKeyHXXIWQSPOXUWID-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.56
Rot. Bonds7

About carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium

carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium (PubChem CID 162289350) has the molecular formula C26H29OP and a molecular weight of 388.49 g/mol. Its IUPAC name is carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium
PubChem CID162289350
Molecular FormulaC26H29OP
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Namecarbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium
SMILESCCC(C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O.[CH3-]
InChIInChI=1S/C25H26OP.CH3/c1-3-22(21(2)26)19-20-27(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20,22H,3H2,1-2H3;1H3/q+1;-1
InChIKeyHXXIWQSPOXUWID-UHFFFAOYSA-N
XLogP5.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
[(E)-2-carboxyethenyl]-triphenylphosphanium
CID 6332531
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
alumane;3-benzylpentan-2-one
CID 174773852
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
2-methylbutanoyl(triphenyl)phosphanium
CID 175177571
[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium
CID 101142872
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
(E)-2-ethylpent-3-enoic acid
CID 12678748

Frequently Asked Questions

What is the IUPAC name of carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium?
The IUPAC name of carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium (CID 162289350) is carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium.
What is the SMILES notation for carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium?
The canonical SMILES for carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium is CCC(C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O.[CH3-].
What is the InChIKey of carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium?
The InChIKey is HXXIWQSPOXUWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26OP.CH3/c1-3-22(21(2)26)19-20-27(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20,22H,3H2,1-2H3;1H3/q+1;-1.
What are the key properties of carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium?
carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium has a molecular weight of 388.49 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium is sourced from PubChem (CID 162289350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).