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1-Decanol

CAT: 0926-AAA11230-02Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA11230-02Size:2.5 g
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CAS Number
112-30-1
MDL Number
MFCD00004747
Smiles
CCCCCCCCCCO
Molecular Formula
C10H22O
Molecular Weight
158.29 g/mol
Controlled
No

Chemical Information

1-Decanol

Decan-1-ol is a fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. It has a role as a metabolite, a pheromone and a protic solvent. It is a primary alcohol and a decanol.

CAS Number112-30-1
PubChem CID8174
IUPAC Namedecan-1-ol
Molecular FormulaC10H22O
Molecular Weight158.28
XLogP4.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity61
SMILES
CCCCCCCCCCO
InChI
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKey
MWKFXSUHUHTGQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Decanol
CAS: 112-30-1
CID: 8174
Formula: C10H22O
MW: 158.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.28
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass158.167065321
Monoisotopic Mass158.167065321
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity61.9
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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CatalogName
TRC-D212540-25G1-Decanol
063035-011-Decanol for Synthesis (Decan-1-OL, n-Decanol)
HY-Y1004R-011-Decanol (Standard)
HY-Y1004S21-Decanol-d21
HY-Y1004S31-Decanol-d5
MBS5780966-01Decanol
HY-Y1004S4-011-Decanol-d4
MBS393869Decanol-1,1-D2
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