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(±) -p-Menthane-3,8-trans-diol

CAT: 0013-GTR19265981-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265981-01Size:10 mg
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Description
(±) -p-Menthane-3,8-trans-diol is a chemically allelopathic compound that can inhibit the germination and growth of lettuce (Lactuca sativa L.) . It can be isolated from the lemon eucalyptus (E. citriodora) .
CAS Number
3564-98-5
Smiles
[C@] (C) (C) (O) [C@H]1[C@H] (O) C[C@H] (C) CC1
Molecular Formula
C10H20O2
Molecular Weight
172.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Menthoglycol

1beta,3beta,4alpha-p-menthane-3,8-diol is a 1r,3c,4t-p-menthane-3,8-diol. It is an enantiomer of a 1alpha,3alpha,4beta-p-menthane-3,8-diol.

CAS Number3564-98-5
PubChem CID19100
IUPAC Name(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP2.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O
InChI
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey
LMXFTMYMHGYJEI-IWSPIJDZSA-N
Chemical Structure
2D Structure
2D structure of Menthoglycol
CAS: 3564-98-5
CID: 19100
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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