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Hexadecan-3-ol

CAT: 0931-T84164-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T84164-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
593-03-3
Target
Others
Related Pathways
Others
Purity
0.9964
Bioactivity
Hexadecan-3-ol (3-Hexadecanol) is an oxidation intermediate and a surfactant that can be used to synthesize other compounds.
Smiles
CCCCCCCCCCCCCC(O)CC
Molecular Formula
C16H34O
Molecular Weight
242.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hexadecan-3-ol

Hexadecan-3-ol is a secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 3. It has a role as a plant metabolite and a bacterial metabolite. It is a secondary fatty alcohol and a hexadecanol.

CAS Number593-03-3
PubChem CID79052
IUPAC Namehexadecan-3-ol
Molecular FormulaC16H34O
Molecular Weight242.44
XLogP7.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count17
Formal Charge0
Complexity133
SMILES
CCCCCCCCCCCCCC(CC)O
InChI
InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h16-17H,3-15H2,1-2H3
InChIKey
ACDUHTSVVVHMGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexadecan-3-ol
CAS: 593-03-3
CID: 79052
Formula: C16H34O
MW: 242.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.44
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass242.260965704
Monoisotopic Mass242.260965704
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity133
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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