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21078-65-9 | 1-Decanol, 2-ethyl-
CAS No: 21078-65-9 Catalog No: AG002KYS MDL No:
Product Description
Catalog Number:
AG002KYS
Chemical Name:
1-Decanol, 2-ethyl-
CAS Number:
21078-65-9
Molecular Formula:
C12H26O
Molecular Weight:
186.3342
IUPAC Name:
2-ethyldecan-1-ol
InChI:
InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-12(4-2)11-13/h12-13H,3-11H2,1-2H3
InChI Key:
LTHQZRHTXDZWGX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CO)CC
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.339g/mol
Monoisotopic Mass:
186.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| The scent of urine spots of male mice, Mus musculus: Changes in chemical composition over time. | Rapid communications in mass spectrometry : RCM 20060101 |
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