(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate

C23H22O4 — CID 141137608

IUPAC(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate
SMILESO=C=C(CCCCOC(=O)CCC(=C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4/c24-17-21(19-9-3-1-4-10-19)13-7-8-16-27-23(26)15-14-22(18-25)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-16H2
InChIKeyZCVJOJCSVLGBPV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.31
Rot. Bonds10

About (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate

(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate (PubChem CID 141137608) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate.

Molecular Properties

Compound Name(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate
PubChem CID141137608
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate
SMILESO=C=C(CCCCOC(=O)CCC(=C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4/c24-17-21(19-9-3-1-4-10-19)13-7-8-16-27-23(26)15-14-22(18-25)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-16H2
InChIKeyZCVJOJCSVLGBPV-UHFFFAOYSA-N
XLogP4.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-4-phenylbutyl) 4-oxo-4-phenylbutanoate
CID 101243722
hexyl 4-oxo-4-phenylbutanoate
CID 12510433
bis(3-phenylpropyl) hexanedioate
CID 59854363
7-methyloctyl 4-oxo-4-phenylbutanoate
CID 123479045
bis(3-phenylpropyl) decanedioate
CID 91710064
5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581
4-phenylbutyl butanoate
CID 59678642
1-O-(6-chlorohexyl) 4-O-phenyl butanedioate
CID 91701908
4-O-benzyl 1-O-octyl butanedioate
CID 528266
(3-oxo-3-phenylpropyl) octadecanoate
CID 57115638
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929

Frequently Asked Questions

What is the IUPAC name of (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate?
The IUPAC name of (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate (CID 141137608) is (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate.
What is the SMILES notation for (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate?
The canonical SMILES for (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate is O=C=C(CCCCOC(=O)CCC(=C=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate?
The InChIKey is ZCVJOJCSVLGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c24-17-21(19-9-3-1-4-10-19)13-7-8-16-27-23(26)15-14-22(18-25)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-16H2.
What are the key properties of (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate?
(6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate has a molecular weight of 362.43 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-5-phenylhex-5-enyl) 5-oxo-4-phenylpent-4-enoate is sourced from PubChem (CID 141137608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).