Isopropanol (C3H8O)

Isopropanol presents a C3 framework, alcohol functionality (formula C3H8O, CAS 67-63-0). ChemicalTool Reaction can propose ranked disconnections for Isopropanol from the SMILES CC(C)O.

Target: Isopropanol
CAS: 67-63-0
Formula: C3H8O
Approx. MW: 60.10
SMILES: CC(C)O
PubChem CID: 3776
Approx. carbons: C3

Isopropanol structure

Properties

IUPAC name: propan-2-ol
Common names: Isopropyl alcohol; isopropanol; 2-Propanol; Propan-2-ol; 67-63-0; 2-Hydroxypropane; Dimethylcarbinol; sec-Propyl alcohol; Alkolave; Avantine
Molecular weight: 60.10
Exact mass: 60.06
InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
Melting point: -127.3 °F (NTP, 1992)
Boiling point: 180.5 °F at 760 mmHg (NTP, 1992)
Density: 0.785 at 68 °F (USCG, 1999) - Less dense than water; will float

View on PubChem

Isopropanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropanol?

Isopropanol has molecular formula C3H8O. Molecular weight about 60.10 g·mol⁻¹.

What is the CAS number of Isopropanol?

The CAS Registry Number for Isopropanol is 67-63-0.

Run AI retrosynthesis for Isopropanol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C3H8O.

Related targets

Similar compounds

1-Propanol 1-Aminopropan-2-ol 1-Chloro-2-propanol 2-(Methylamino)ethanol 2-(Methylthio)ethanol 2-Methoxyethanol

Browse the full target catalog

References & tools

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