5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one

C25H27O2P — CID 123539955

IUPAC5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one
SMILESCOCC(C)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O2P/c1-21(19-27-2)18-22(26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3
InChIKeyHRMZNGKNARUANM-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.02
Rot. Bonds8

About 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one

5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one (PubChem CID 123539955) has the molecular formula C25H27O2P and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one
PubChem CID123539955
Molecular FormulaC25H27O2P
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one
SMILESCOCC(C)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O2P/c1-21(19-27-2)18-22(26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3
InChIKeyHRMZNGKNARUANM-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-hydroxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 129011469
tert-butyl (3S)-3-methoxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 129272367
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate;hydrobromide
CID 146120929
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435
5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
CID 12923548
1-but-2-enoxy-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 71324829
tert-butyl (3S)-3-[tert-butyl(dimethyl)-λ4-sulfanyl]oxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 144775333
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 140746850
2-methoxyethoxymethylidene(triphenyl)-lambda5-phosphane
CID 15581400
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
CID 11349379
3-[4-[(4-methoxy-3-methylbutanoyl)amino]phenyl]propanoic acid
CID 115339392

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one?
The IUPAC name of 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one (CID 123539955) is 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one?
The canonical SMILES for 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one is COCC(C)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one?
The InChIKey is HRMZNGKNARUANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O2P/c1-21(19-27-2)18-22(26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one?
5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one is sourced from PubChem (CID 123539955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).