4,8,12,16-Tetramethyl heptadecan4-olide

4,8,12,16-Tetramethyl heptadecan4-olide
Compound Structure:
Synonyms: 4,8,12,16-Tetramethylheptadecan-4-olide;SCHEMBL22773017;96168-15-9;5-Methyl-5-(4,8,12-trimethyltridecyl)dihydro-2(3H)-furanone
Compound ID: NMPC-403
PubChem ID:

567149
Molecular Formula: C21H40O2
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(CCC(=O)O1)C
InChIKey: LGWNRNDWDZHUNP-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

324.5 g/mol

XLogP3-AA

7.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

12

Exact Mass

324.302830514 g/mol

Monoisotopic Mass

324.302830514 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

337

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Moringa oleifera
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