4-Heptanol (C7H16O)

4-Heptanol (C7H16O; CAS 589-55-9) is a practical retrosynthesis target. 4-Heptanol presents a C7 framework, alcohol functionality. Open AI route search in one click below.

Target: 4-Heptanol
CAS: 589-55-9
Formula: C7H16O
Approx. MW: 116.20
SMILES: CCCC(O)CCC
PubChem CID: 11513
Approx. carbons: C7

4-Heptanol structure

Properties

IUPAC name: heptan-4-ol
Common names: 4-HEPTANOL; 589-55-9; Heptan-4-ol; Dipropylcarbinol; 4-Heptyl Alcohol; YG7B8091BP; NSC-8695; DTXSID1060429; 209-651-7; RefChem:1113614
Molecular weight: 116.20
Exact mass: 116.12
InChIKey: YVBCULSIZWMTFY-UHFFFAOYSA-N

View on PubChem

4-Heptanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Heptanol?

4-Heptanol has molecular formula C7H16O. Molecular weight about 116.20 g·mol⁻¹.

What is the CAS number of 4-Heptanol?

The CAS Registry Number for 4-Heptanol is 589-55-9.

Run AI retrosynthesis for 4-Heptanol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H16O.

Related targets

Similar compounds

2-Methyl-2-Hexanol 5-Methyl-2-Hexanol Unii-Xde2vg2yxy 1-(2-Methoxypropoxy)propan-2-ol 1-Methyl-2-piperidinemethanol 6-Methoxycyclohexane-1,2,3,4,5-Pentol

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.