2-Butyl-1-heptanol - CAS 85508-26-5
Catalog: |
BB073374 |
Product Name: |
2-Butyl-1-heptanol |
CAS: |
85508-26-5 |
Synonyms: |
2-Butylheptan-1-ol; 1-Heptanol, 2-butyl-; 2-Butyl-1-heptanol |
IUPAC Name: | 2-butylheptan-1-ol |
Molecular Weight: | 172.31 |
Molecular Formula: | C11H24O |
Canonical SMILES: | CCCCCC(CCCC)CO |
InChI: | InChI=1S/C11H24O/c1-3-5-7-9-11(10-12)8-6-4-2/h11-12H,3-10H2,1-2H3 |
InChI Key: | PPVGIYDGIOTKTB-UHFFFAOYSA-N |
Complexity: | 81.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.182715385 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.182715385 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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