4-Methyl-1-Pentene (C6H12)

4-Methyl-1-Pentene presents a C6 framework, unsaturation (formula C6H12, CAS 691-37-2). ChemicalTool Reaction can propose ranked disconnections for 4-Methyl-1-Pentene from the SMILES C=CCC(C)C.

Target: 4-Methyl-1-Pentene
CAS: 691-37-2
Formula: C6H12
Approx. MW: 84.16
SMILES: C=CCC(C)C
PubChem CID: 12724
Approx. carbons: C6

4-Methyl-1-Pentene structure

Properties

IUPAC name: 4-methylpent-1-ene
Common names: 4-METHYL-1-PENTENE; 691-37-2; 4-Methylpent-1-ene; 1-Pentene, 4-methyl-; Isobutylethene; X10HRJ2Y7W; NSC-15091; Isohexene; 4-methylpentene-1; UNII-X10HRJ2Y7W
Molecular weight: 84.16
Exact mass: 84.09
InChIKey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
Boiling point: 127.4 to 129.2 °F at 760 mmHg (USCG, 1999)
Density: 0.665 (USCG, 1999) - Less dense than water; will float

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4-Methyl-1-Pentene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methyl-1-Pentene?

4-Methyl-1-Pentene has molecular formula C6H12. Molecular weight about 84.16 g·mol⁻¹.

What is the CAS number of 4-Methyl-1-Pentene?

The CAS Registry Number for 4-Methyl-1-Pentene is 691-37-2.

Run AI retrosynthesis for 4-Methyl-1-Pentene Target catalog AI tools overview

Open the planner with 4-Methyl-1-Pentene preloaded, then keep routes that match CAS 691-37-2.

Related targets

Similar compounds

2-Methyl-1-Pentene Neohexene 2,3-dimethyl-2-butene Cyclohexane Methylcyclopentane

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.