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Pentadecane-1,15-diol

CAT: 0931-T84149-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T84149-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14722-40-8
Target
Others
Related Pathways
Others
Purity
0.9783
Bioactivity
Pentadecane-1,15-diol (1,15-Pentadecanediol) is a surfactant and a lubricant that can be used in the manufacture of skin care products, coatings, and dyes.
Smiles
OCCCCCCCCCCCCCCCO
Molecular Formula
C15H32O2
Molecular Weight
244.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,15-Pentadecanediol
CAS Number14722-40-8
PubChem CID518994
IUPAC Namepentadecane-1,15-diol
Molecular FormulaC15H32O2
Molecular Weight244.41
XLogP5.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count17
Formal Charge0
Complexity112
SMILES
C(CCCCCCCO)CCCCCCCO
InChI
InChI=1S/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2
InChIKey
ZBPYFGWSQQFVCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,15-Pentadecanediol
CAS: 14722-40-8
CID: 518994
Formula: C15H32O2
MW: 244.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.41
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass244.240230259
Monoisotopic Mass244.240230259
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity112
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

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