Cadina-1(10),4-diene

Cadina-1(10),4-diene
Compound Structure:
Synonyms: Cadina-1(10),4-diene;1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene;4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene;delta-Amorphene;(+)-delta-amorphene;(+)-?-Cadinene;D-Amorphene
Compound ID: NMPC-706
PubChem ID:

10223
Molecular Formula: C15H24
Canonical SMILES: CC1=CC2C(CCC(=C2CC1)C)C(C)C
InChIKey: FUCYIEXQVQJBKY-UHFFFAOYSA-N
About the compound:

Delta-cadinene is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a). It is a cadinene and a member of hexahydronaphthalenes.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

3.8

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

304

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Laggera aurita
Cyperus articulatus
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