dehydrodiconiferyl diacetate

dehydrodiconiferyl diacetate
Compound Structure:
Synonyms: (1S)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one; dehydrodiconiferyl diacetate
Compound ID: NMPC-958
PubChem ID:

71349436
Molecular Formula: C10H16O2
Canonical SMILES: CC1(C2CCC1(COC2=O)C)C
InChIKey: DBRCQDHKXZLHJE-PVSHWOEXSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

168.23 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

168.115029749 g/mol

Monoisotopic Mass

168.115029749 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

232

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Euphorbia deightonii
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