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9-Methyldecanol

CAT: 0024-sc-363621Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-363621Size:250 mg
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CAS Number
55505-28-7

Chemical Information

Isoundecanol

9-methyldecan-1-ol is a fatty alcohol that is decan-1-ol in which one of the hydrogens at position 9 has been replaced by a methyl group. It is a primary alcohol and a medium-chain fatty alcohol.

CAS Number55505-28-7
PubChem CID103950
IUPAC Name9-methyldecan-1-ol
Molecular FormulaC11H24O
Molecular Weight172.31
XLogP5.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity79
SMILES
CC(C)CCCCCCCCO
InChI
InChI=1S/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKey
JTKHUJNVHQWSAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoundecanol
CAS: 55505-28-7
CID: 103950
Formula: C11H24O
MW: 172.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.31
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass172.182715385
Monoisotopic Mass172.182715385
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity79.1
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