Cadina-1,4-diene

Cadina-1,4-diene
Compound Structure:
Synonyms: Cadina-1,4-diene;Cadina-1,4-diene, cis;Cadina-1(2),4-diene;(1S,4S,4aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene;4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene-, [1S-(1.alpha.,4.alpha.,4a.alpha.)]-
Compound ID: NMPC-708
PubChem ID:

6427091
Molecular Formula: C15H24
Canonical SMILES: CC1CCC(C2C1=CCC(=C2)C)C(C)C
InChIKey: JUQGWBAOQUBVFP-OPFPJEHXSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

293

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Eucalyptus tereticornis
Taxodium distichum
Murraya Koenigii
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