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Linolenyl alcohol

CAT: 0127-BUP02804-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02804-01Size:5 mg
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CAS Number
506-44-5
Synonyms
(9Z,12Z,15Z) -Octadeca-9,12,15-trien-1-ol
MDL Number
MFCD00056666
Purity
=98%
Smiles
C(=C\C/C=C\C/C=C\CC)\CCCCCCCCO
Storage Conditions
Store at -20°C

Chemical Information

Linolenyl alcohol

(9Z,12Z,15Z)-octadecatrien-1-ol is a long chain fatty primary alcohol that is octadecanol containing three double bonds located at positions 9, 12 and 15. It has a role as an antibacterial agent.

CAS Number506-44-5
PubChem CID6436081
IUPAC Name(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
Molecular FormulaC18H32O
Molecular Weight264.4
XLogP6.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity238
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCO
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKey
IKYKEVDKGZYRMQ-PDBXOOCHSA-N
Chemical Structure
2D Structure
2D structure of Linolenyl alcohol
CAS: 506-44-5
CID: 6436081
Formula: C18H32O
MW: 264.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.4
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass264.245315640
Monoisotopic Mass264.245315640
Topological Polar Surface Area20.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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