3-Hexylundecan-1-ol

CAT: 0127-OR1047903-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047903-01Size:100 mg

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

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CAS Number

51655-60-8

MDL Number

MFCD28359609

Purity

95%

Smiles

CCCCCCCCC(CCO)CCCCCC

Chemical Information

3-Hexylundecan-1-OL

CAS Number	51655-60-8
PubChem CID	13109027
IUPAC Name	3-hexylundecan-1-ol
Molecular Formula	C17H36O
Molecular Weight	256.5
XLogP	7.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Heavy Atom Count	18
Formal Charge	0
Complexity	145

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

CAS: 51655-60-8

CID: 13109027

Formula: C17H36O

MW: 256.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.5
XLogP3	7.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	256.276615768
Monoisotopic Mass	256.276615768
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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