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Octadecan-9-ol

CAT: 0127-OR1055093-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1055093-02Size:5 g
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CAS Number
591-70-8
Purity
97%
Smiles
CCCCCCCCC(O)CCCCCCCCC

Chemical Information

9-Octadecanol

Octadecan-9-ol is a secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 9. It has a role as a plant metabolite. It is a secondary fatty alcohol and an octadecanol.

CAS Number591-70-8
PubChem CID13017695
IUPAC Nameoctadecan-9-ol
Molecular FormulaC18H38O
Molecular Weight270.5
XLogP8.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity156
SMILES
CCCCCCCCCC(CCCCCCCC)O
InChI
InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKey
URMHMMMIVAECEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Octadecanol
CAS: 591-70-8
CID: 13017695
Formula: C18H38O
MW: 270.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.5
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass270.292265831
Monoisotopic Mass270.292265831
Topological Polar Surface Area20.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity156
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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