2-Nonanone (C9H18O)

2-Nonanone (C9H18O; CAS 821-55-6) is a practical retrosynthesis target. 2-Nonanone presents a C9 framework. Open AI route search in one click below.

Target: 2-Nonanone
CAS: 821-55-6
Formula: C9H18O
Approx. MW: 142.24
SMILES: CCCCCCCC(C)=O
PubChem CID: 13187
Approx. carbons: C9

2-Nonanone structure

Properties

IUPAC name: nonan-2-one
Common names: 2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone; beta-Nonanone; Ketone, heptyl methyl; METHYL N-HEPTYL KETONE; FEMA No. 2785; DTXSID2022125
Molecular weight: 142.24
Exact mass: 142.14
InChIKey: VKCYHJWLYTUGCC-UHFFFAOYSA-N
Melting point: -5.8 °F (USCG, 1999)
Boiling point: 377.6 °F at 743 mmHg (USCG, 1999)
Density: 0.832 (USCG, 1999) - Less dense than water; will float

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2-Nonanone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Nonanone?

2-Nonanone has molecular formula C9H18O. Molecular weight about 142.24 g·mol⁻¹.

What is the CAS number of 2-Nonanone?

The CAS Registry Number for 2-Nonanone is 821-55-6.

Run AI retrosynthesis for 2-Nonanone Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H18O.

Related targets

Similar compounds

1-Nonen-3-ol 3-Cyclohexylpropan-1-ol 4-Nonanone Diisobutyl Ketone Isononylaldehyde

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.