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1-Docosene

CAT: 1596-AR-T04676-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T04676-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1599-67-3
Molecular Formula
C24H48
Molecular Weight
336.65
API Name
Tetracosene

Chemical Information

1-Docosene

1-docosene is an alkene that is docosane with an unsaturation at position 1. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

CAS Number1599-67-3
PubChem CID74138
IUPAC Namedocos-1-ene
Molecular FormulaC22H44
Molecular Weight308.6
XLogP12.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count19
Heavy Atom Count22
Formal Charge0
Complexity194
SMILES
CCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
InChIKey
SPURMHFLEKVAAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Docosene
CAS: 1599-67-3
CID: 74138
Formula: C22H44
MW: 308.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight308.6
XLogP312.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count19
Exact Mass308.344301404
Monoisotopic Mass308.344301404
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity194
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