tricosan-2-one

C23H46O — CID 529806

IUPACtricosan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3
InChIKeyHMGAHRPPRPQDAS-UHFFFAOYSA-N
MW338.62 g/mol
LogP8.40
Rot. Bonds20

About tricosan-2-one

tricosan-2-one (PubChem CID 529806) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is tricosan-2-one.

Molecular Properties

Compound Nametricosan-2-one
PubChem CID529806
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Nametricosan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3
InChIKeyHMGAHRPPRPQDAS-UHFFFAOYSA-N
XLogP8.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496
methanol;octan-2-one
CID 158579665
octan-2-one;platinum
CID 174910160
methane;octan-2-one
CID 159061487
nickel;octan-2-one
CID 174810035
sodium;ethane;heptadecan-2-one
CID 167668217
formaldehyde;octan-2-one
CID 22056500
molybdenum;octan-2-one;hydrate
CID 174900945

Frequently Asked Questions

What is the IUPAC name of tricosan-2-one?
The IUPAC name of tricosan-2-one (CID 529806) is tricosan-2-one.
What is the SMILES notation for tricosan-2-one?
The canonical SMILES for tricosan-2-one is CCCCCCCCCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of tricosan-2-one?
The InChIKey is HMGAHRPPRPQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3.
What are the key properties of tricosan-2-one?
tricosan-2-one has a molecular weight of 338.62 g/mol, XLogP of 8.40, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosan-2-one is sourced from PubChem (CID 529806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).