Sesquithujene

Sesquithujene
Compound Structure:
Synonyms: sesquithujene ;9M2W4F21JY;58319-06-5 ;Bicyclo(3.1.0)hex-2-ene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-
Compound ID: NMPC-1482
PubChem ID:

25147318
Molecular Formula: C15H24
Canonical SMILES: CC1=CCC2(C1C2)C(C)CCC=C(C)C
InChIKey: UCQHFDKBUHCAFR-RBSFLKMASA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

4

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

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Hyparrhenia rufa
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