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Decane, 1-methoxy-

CAT: 0013-GTR19194764-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194764-01Size:25 mg
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Description
Decane, 1-methoxy-
CAS Number
7289-52-3
Smiles
C (CCCCOC) CCCCC
Molecular Formula
C11H24O
Molecular Weight
172.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decane, 1-methoxy-
CAS Number7289-52-3
PubChem CID23716
IUPAC Name1-methoxydecane
Molecular FormulaC11H24O
Molecular Weight172.31
XLogP5.1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity71
SMILES
CCCCCCCCCCOC
InChI
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3
InChIKey
JPEWDCTZJFUITH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decane, 1-methoxy-
CAS: 7289-52-3
CID: 23716
Formula: C11H24O
MW: 172.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.31
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass172.182715385
Monoisotopic Mass172.182715385
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity71.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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581807Decane, 1-methoxy-
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