5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one

C26H26O5 — CID 118147470

IUPAC5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one
SMILESO=C(C#Cc1ccccc1)CCOCCOCCOCCC(=O)C#Cc1ccccc1
InChIInChI=1S/C26H26O5/c27-25(13-11-23-7-3-1-4-8-23)15-17-29-19-21-31-22-20-30-18-16-26(28)14-12-24-9-5-2-6-10-24/h1-10H,15-22H2
InChIKeyWIERKRUKANWEOM-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.06
Rot. Bonds12

About 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one

5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one (PubChem CID 118147470) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one.

Molecular Properties

Compound Name5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one
PubChem CID118147470
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one
SMILESO=C(C#Cc1ccccc1)CCOCCOCCOCCC(=O)C#Cc1ccccc1
InChIInChI=1S/C26H26O5/c27-25(13-11-23-7-3-1-4-8-23)15-17-29-19-21-31-22-20-30-18-16-26(28)14-12-24-9-5-2-6-10-24/h1-10H,15-22H2
InChIKeyWIERKRUKANWEOM-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501
5-methylsulfanyl-1-phenylpent-1-yn-3-one
CID 126972014
6-amino-1-phenylhept-1-yn-3-one
CID 130646180
4-(3-phenylprop-2-ynoyloxy)butyl 3-phenylprop-2-ynoate
CID 2755244
(2-oxo-4-phenylbut-3-ynyl) acetate
CID 146011375
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
5,5,5-trifluoro-1-phenylpent-1-yn-3-one
CID 130137128
S-benzyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanethioate
CID 145373394
4-phenyl-1-phenylselanylbut-3-yn-2-one
CID 146165168
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
4-(4-fluorophenyl)-1-(3-phenylprop-2-ynoxy)but-3-yn-2-one
CID 71423525
3-phenylprop-2-ynoyloxidanium
CID 155934787

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one?
The IUPAC name of 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one (CID 118147470) is 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one.
What is the SMILES notation for 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one?
The canonical SMILES for 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one is O=C(C#Cc1ccccc1)CCOCCOCCOCCC(=O)C#Cc1ccccc1.
What is the InChIKey of 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one?
The InChIKey is WIERKRUKANWEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c27-25(13-11-23-7-3-1-4-8-23)15-17-29-19-21-31-22-20-30-18-16-26(28)14-12-24-9-5-2-6-10-24/h1-10H,15-22H2.
What are the key properties of 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one?
5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one has a molecular weight of 418.49 g/mol, XLogP of 3.06, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-oxo-5-phenylpent-4-ynoxy)ethoxy]ethoxy]-1-phenylpent-1-yn-3-one is sourced from PubChem (CID 118147470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).