Linalool oxide pyranoid, trans-(+)-

Linalool oxide pyranoid, trans-(+)-
Compound Structure:
Synonyms: Linaloolpyran Oxide C; Linalool oxide pyranoid, trans-(+)-;(+)-trans-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran; 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3S,6R)-;2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3S-trans)-
Compound ID: NMPC-059
PubChem ID:

6428300
Molecular Formula: C10H18O2
Canonical SMILES: CC1(C(CCC(O1)(C)C=C)O)C
InChIKey: BCTBAGTXFYWYMW-WPRPVWTQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

170.25 g/mol

XLogP3-AA

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

170.130679813 g/mol

Monoisotopic Mass

170.130679813 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

186

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

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: Mucuna pruriens
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