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Hexan-2-Ol

CAT: 1299-RG-H052408-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-H052408-01Size:10 mg
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CAS Number
626-93-7
Synonyms
Hexan-2-ol
Molecular Formula
C6H14O
Molecular Weight
102.17
Product Name Synonym
Hexan-2-ol

Chemical Information

2-Hexanol

Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a hexanol and a secondary alcohol.

CAS Number626-93-7
PubChem CID12297
IUPAC Namehexan-2-ol
Molecular FormulaC6H14O
Molecular Weight102.17
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity35
SMILES
CCCCC(C)O
InChI
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKey
QNVRIHYSUZMSGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexanol
CAS: 626-93-7
CID: 12297
Formula: C6H14O
MW: 102.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight102.17
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass102.104465066
Monoisotopic Mass102.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity35.2
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