Neryl hexanoate structure

Neryl hexanoate

3,7-dimethylocta-2,6-dienyl hexanoate

CAS: 68310-59-8
Molecular Formula C16H28O2
Molecular Weight 252.39 g/mol
LogP 5.4
Topological Polar Surface Area 26.3 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 10
Exact Mass 252.20892
Heavy Atoms 18
Complexity 283.0

Chemical Identifiers

CAS Number 68310-59-8
SMILES CCCCCC(=O)OCC=C(C)CCC=C(C)C
InChIKey ARVSCQUZFFSNKF-UHFFFAOYSA-N

📖 Product Overview

Neryl hexanoate (CAS: 68310-59-8) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.39 g/mol. Its IUPAC systematic name is 3,7-dimethylocta-2,6-dienyl hexanoate. LogP 5.4 Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 10 Exact Mass 252.20892 Heavy Atoms 18 Complexity 283.0 InChI Key: ARVSCQUZFFSNKF-UHFFFAOYSA-N. SMILES: CCCCCC(=O)OCC=C(C)CCC=C(C)C.

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