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(-) -Hydroxydihydrobovolide

CAT: 0013-GTR19227825-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227825-02Size:5 mg
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Description
(-) -Hydroxydihydrobovolide
CAS Number
124097-54-7
Smiles
C (CCCC) [C@]1 (O) C (C) =C (C) C (=O) O1
Molecular Formula
C11H18O3
Molecular Weight
198.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl-
CAS Number124097-54-7
PubChem CID328789
IUPAC Name5-hydroxy-3,4-dimethyl-5-pentylfuran-2-one
Molecular FormulaC11H18O3
Molecular Weight198.26
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity268
SMILES
CCCCCC1(C(=C(C(=O)O1)C)C)O
InChI
InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3
InChIKey
VJZWZDQDXPADSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl-
CAS: 124097-54-7
CID: 328789
Formula: C11H18O3
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass198.125594432
Monoisotopic Mass198.125594432
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T126161-01(-) -Hydroxydihydrobovolide
MBS5791614(-)-Hydroxydihydrobovolide

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