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Decane-1,9-diol

CAT: 0926-DAA20805-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-DAA20805-01Size:250 mg
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CAS Number
3208-05-7
MDL Number
MFCD31665384
Smiles
CC (CCCCCCCCO) O
Molecular Formula
C10H22O2
Molecular Weight
174.28 g/mol
Controlled
No

Chemical Information

Decane-1,9-diol

1,9-decanediol is a diol that is decane substituted by hydroxy groups at position 1 and 9. It is a natural product found in rice root exudates and acts as an effective biological nitrification inhibitor for soil ammonia-oxidizing bacteria and archaea. It has a role as a nitrification inhibitor and a plant metabolite. It is a primary alcohol, a diol, an aliphatic alcohol and a secondary alcohol.

CAS Number3208-05-7
PubChem CID10910076
IUPAC Namedecane-1,9-diol
Molecular FormulaC10H22O2
Molecular Weight174.28
XLogP2.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity83
SMILES
CC(CCCCCCCCO)O
InChI
InChI=1S/C10H22O2/c1-10(12)8-6-4-2-3-5-7-9-11/h10-12H,2-9H2,1H3
InChIKey
BRBMYNGGGPTKKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decane-1,9-diol
CAS: 3208-05-7
CID: 10910076
Formula: C10H22O2
MW: 174.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.28
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass174.161979940
Monoisotopic Mass174.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity83.9
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

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