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5-Methylhexanol

CAT: 0013-GTR19255048-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255048-02Size:5 mg
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Description
5-Methylhexanol is a fatty alcohol widely used in biochemical experiments and drug synthesis research.
CAS Number
627-98-5
Purity
99.28% (May vary between batches)
Smiles
OCCCCC (C) C
Molecular Formula
C7H16O
Molecular Weight
116.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methyl-1-hexanol

isoheptanol is a metabolite found in or produced by Saccharomyces cerevisiae.

CAS Number627-98-5
PubChem CID12331
IUPAC Name5-methylhexan-1-ol
Molecular FormulaC7H16O
Molecular Weight116.20
XLogP2.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity41
SMILES
CC(C)CCCCO
InChI
InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey
ZVHAANQOQZVVFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-1-hexanol
CAS: 627-98-5
CID: 12331
Formula: C7H16O
MW: 116.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.20
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass116.120115130
Monoisotopic Mass116.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity41.7
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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