α-Naginatene

α-Naginatene
Compound Structure:
Synonyms: rosefuran ;15186-51-3; 3-methyl-2-(3-methylbut-2-enyl)furan Furan, 3-methyl-2-(3-methyl-2-butenyl)- 3-Methyl-2-(3-methylbut-2-enyl)-furan
Compound ID: NMPC-1633
PubChem ID:

84825
Molecular Formula: C10H14O
Canonical SMILES: CC1=C(OC=C1)CC=C(C)C
InChIKey: UTSGPHXOHJSDBC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

13.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

145

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless liquid; Caramel aroma

Density

0.998-1.004

Solubility 

Slightly soluble in water

Source:PubChem
Source Species: Pteris togoensis
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