3-Butyl-1-nonanol - CAS 51655-63-1
Catalog: |
BB061818 |
Product Name: |
3-Butyl-1-nonanol |
CAS: |
51655-63-1 |
Synonyms: |
3-butyl-1-nonanol |
IUPAC Name: | 3-butylnonan-1-ol |
Molecular Weight: | 200.36 |
Molecular Formula: | C13H28O |
Canonical SMILES: | CCCCCCC(CCCC)CCO |
InChI: | InChI=1S/C13H28O/c1-3-5-7-8-10-13(11-12-14)9-6-4-2/h13-14H,3-12H2,1-2H3 |
InChI Key: | ICTOQBVCUDARKR-UHFFFAOYSA-N |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.214015512 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.214015512 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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