trans-α-Bisabolene

trans-α-Bisabolene
Compound Structure:
Synonyms: trans-alpha-bisabolene; (E,S)-alpha-bisabolene ;70286-32-7; 2I1R0087H8 ;alpha-(E)-Bisabolene
Compound ID: NMPC-1561
PubChem ID:

24798703
Molecular Formula: C15H24
Canonical SMILES: CC1=CCC(CC1)C(=CCC=C(C)C)C
InChIKey: YHBUQBJHSRGZNF-KEQVLUGWSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

5.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

3

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

285

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Monodora tenuifolia
Morinda lucida
Download SDF