decan-2-one

C10H20O — CID 12741

IUPACdecan-2-one
SMILESCCCCCCCCC(C)=O
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKeyZAJNGDIORYACQU-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.33
Rot. Bonds7

About decan-2-one

decan-2-one (PubChem CID 12741) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is decan-2-one.

Molecular Properties

Compound Namedecan-2-one
PubChem CID12741
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namedecan-2-one
SMILESCCCCCCCCC(C)=O
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKeyZAJNGDIORYACQU-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.33
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
tricosan-2-one
CID 529806
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 decan-2-one?
The IUPAC name of decan-2-one (CID 12741) is decan-2-one.
What is the SMILES notation for decan-2-one?
The canonical SMILES for decan-2-one is CCCCCCCCC(C)=O.
What is the InChIKey of decan-2-one?
The InChIKey is ZAJNGDIORYACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3.
What are the key properties of decan-2-one?
decan-2-one has a molecular weight of 156.27 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-one is sourced from PubChem (CID 12741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).