nonan-2-one

C9H18O — CID 13187

IUPACnonan-2-one
SMILESCCCCCCCC(C)=O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKeyVKCYHJWLYTUGCC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.94
Rot. Bonds6

About nonan-2-one

nonan-2-one (PubChem CID 13187) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is nonan-2-one.

Molecular Properties

Compound Namenonan-2-one
PubChem CID13187
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namenonan-2-one
SMILESCCCCCCCC(C)=O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKeyVKCYHJWLYTUGCC-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.94
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
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CID 12741
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
nickel;octan-2-one
CID 174810035
methane;octan-2-one
CID 159061487
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 nonan-2-one?
The IUPAC name of nonan-2-one (CID 13187) is nonan-2-one.
What is the SMILES notation for nonan-2-one?
The canonical SMILES for nonan-2-one is CCCCCCCC(C)=O.
What is the InChIKey of nonan-2-one?
The InChIKey is VKCYHJWLYTUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3.
What are the key properties of nonan-2-one?
nonan-2-one has a molecular weight of 142.24 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-one is sourced from PubChem (CID 13187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).