13-Docosen-1-ol

CAT: 0127-BUP22280-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22280-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

23519-83-7

Purity

≥95%

Smiles

OCCCCCCCCCCCCC=CCCCCCCCC

Chemical Information

Docos-13-en-1-ol

docos-13-en-1-ol has been reported in Simmondsia chinensis with data available.

CAS Number	23519-83-7
PubChem CID	94773
IUPAC Name	docos-13-en-1-ol
Molecular Formula	C22H44O
Molecular Weight	324.6
XLogP	9.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	19
Heavy Atom Count	23
Formal Charge	0
Complexity	222

SMILES

CCCCCCCCC=CCCCCCCCCCCCCO

InChI

InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3

InChIKey

CFOQKXQWGLAKSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23519-83-7

CID: 94773

Formula: C22H44O

MW: 324.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.6
XLogP3	9.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	19
Exact Mass	324.339216023
Monoisotopic Mass	324.339216023
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes