Nerolidyl acetate

Nerolidyl acetate
Compound Structure:
Synonyms: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate; Nerolidyl acetate; NEROLIDOL, ACETATE; 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl acetate; nerolidol acetate; (e)-nerolidyl acetate; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate
Compound ID: NMPC-1304
PubChem ID:

5363426
Molecular Formula: C17H28O2
Canonical SMILES: CC(=CCCC(=CCCC(C)(C=C)OC(=O)C)C)C
InChIKey: PRNJXUQTUSFYLV-NTCAYCPXSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 266 of 266 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

264.4 g/mol

XLogP3-AA

5.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

9

Exact Mass

264.208930132 g/mol

Monoisotopic Mass

264.208930132 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

360

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Boiling Point

280.00 °C. @ 760.00 mm Hg

Source: PubChem   
Source Species: Prosopis africana
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