beta-Longipinene

beta-Longipinene
Compound Structure:
Synonyms: ETHYLHEXYL)PHTHALATE [IARC];BIS(2-ETHYLHEXYL)PHTHALATE [HSDB];Bis(2-ethylhexyl) 1, 2-benzenedicarboxylate;CS-0014050;FT-0663286;P0297;Bis(2-ethylhexyl) phthalate, Selectophore(TM);C03690;1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Compound ID: NMPC-682
PubChem ID:

25203064
Molecular Formula: C15H24
Canonical SMILES: CC1(CCCC2(C3C1C2C(=C)CC3)C)C
InChIKey: DQOVXHMHLOWECL-UHFFFAOYSA-N
About the compound:

Beta-longipinene is a bridged compound and sesquiterpene that is tricyclo[5.4.0.0(2,8)]undecane that is substituted by methyl groups at positions 2, 6, and 6, and by a methylidene group at position 9. It has a role as a plant metabolite. It is a sesquiterpene, a bridged compound and a polycyclic olefin.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

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

312

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem
Source Species: Taxodium distichum
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