2-oxotetracos-3-en-4-olate

C24H45O2- — CID 58864838

IUPAC2-oxotetracos-3-en-4-olate
SMILESCCCCCCCCCCCCCCCCCCCCC([O-])=CC(C)=O
InChIInChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)22-23(2)25/h22,26H,3-21H2,1-2H3/p-1
InChIKeyAHMNKBIFUYDDFH-UHFFFAOYSA-M
MW365.62 g/mol
LogP7.25
Rot. Bonds20

About 2-oxotetracos-3-en-4-olate

2-oxotetracos-3-en-4-olate (PubChem CID 58864838) has the molecular formula C24H45O2- and a molecular weight of 365.62 g/mol. Its IUPAC name is 2-oxotetracos-3-en-4-olate.

Molecular Properties

Compound Name2-oxotetracos-3-en-4-olate
PubChem CID58864838
Molecular FormulaC24H45O2-
Molecular Weight365.62 g/mol
Exact Mass365.34
IUPAC Name2-oxotetracos-3-en-4-olate
SMILESCCCCCCCCCCCCCCCCCCCCC([O-])=CC(C)=O
InChIInChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)22-23(2)25/h22,26H,3-21H2,1-2H3/p-1
InChIKeyAHMNKBIFUYDDFH-UHFFFAOYSA-M
XLogP7.25
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.62
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxotetracos-3-en-4-olate?
The IUPAC name of 2-oxotetracos-3-en-4-olate (CID 58864838) is 2-oxotetracos-3-en-4-olate.
What is the SMILES notation for 2-oxotetracos-3-en-4-olate?
The canonical SMILES for 2-oxotetracos-3-en-4-olate is CCCCCCCCCCCCCCCCCCCCC([O-])=CC(C)=O.
What is the InChIKey of 2-oxotetracos-3-en-4-olate?
The InChIKey is AHMNKBIFUYDDFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)22-23(2)25/h22,26H,3-21H2,1-2H3/p-1.
What are the key properties of 2-oxotetracos-3-en-4-olate?
2-oxotetracos-3-en-4-olate has a molecular weight of 365.62 g/mol, XLogP of 7.25, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxotetracos-3-en-4-olate is sourced from PubChem (CID 58864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).