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3-Hexyl-1-undecanol

CAT: 0572-TRC-H516550-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H516550-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51655-60-8
Hazard Statement
No Data Available
Smiles
CCCCCCCCC(CCO)CCCCCC
Molecular Formula
C17 H36 O
Molecular Weight
256.467
InChI
InChI=1S/C17H36O/c1-3-5-7-9-10-12-14-17(15-16-18)13-11-8-6-4-2/h17-18H,3-16H2,1-2H3
Additionnal Information
IUPAC name: 3-hexylundecan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

3-Hexylundecan-1-OL
CAS Number51655-60-8
PubChem CID13109027
IUPAC Name3-hexylundecan-1-ol
Molecular FormulaC17H36O
Molecular Weight256.5
XLogP7.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity145
SMILES
CCCCCCCCC(CCCCCC)CCO
InChI
InChI=1S/C17H36O/c1-3-5-7-9-10-12-14-17(15-16-18)13-11-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey
WGDHJACBNBATDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hexylundecan-1-OL
CAS: 51655-60-8
CID: 13109027
Formula: C17H36O
MW: 256.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.5
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass256.276615768
Monoisotopic Mass256.276615768
Topological Polar Surface Area20.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity145
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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