Furanodiene

Furanodiene
Compound Structure:
Synonyms: Furanoelemene; (5E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-4,7,8,11-TETRAHYDRO-3,6,10-TRIMETHYLCYCLODECA(B)FURAN; CYCLODECA(B)FURAN, 4,7,8,11-TETRAHYDRO-3,6,10-TRIMETHYL-, (5E,9E)-
Compound ID: NMPC-1062
PubChem ID:

636458
Molecular Formula: C15H20O
Canonical SMILES: CC1=CCC2=C(CC(=CCC1)C)OC=C2C
InChIKey: VMDXHYHOJPKFEK-IAVOFVOCSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

216.32 g/mol

XLogP3-AA

3.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

216.151415257 g/mol

Monoisotopic Mass

216.151415257 g/mol

Topological Polar Surface Area

13.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

301

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

 

Melting Point

66 °C

Density

 

Solubility 

 

Vapor Pressure

 

Source: PubChem                  
Source Species: Eugenia uniflora
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