4-(n-Heptyloxy)butan-1-ol - CAS 318256-94-9
Catalog: |
BB054487 |
Product Name: |
4-(n-Heptyloxy)butan-1-ol |
CAS: |
318256-94-9 |
Synonyms: |
4-(heptyloxy)butan-1-ol; 4-(Heptyloxy)-1-butanol |
IUPAC Name: | 4-heptoxybutan-1-ol |
Molecular Weight: | 188.31 |
Molecular Formula: | C11H24O2 |
Canonical SMILES: | CCCCCCCOCCCCO |
InChI: | InChI=1S/C11H24O2/c1-2-3-4-5-7-10-13-11-8-6-9-12/h12H,2-11H2,1H3 |
InChI Key: | RUKKFIKRYMMKPP-UHFFFAOYSA-N |
Complexity: | 84.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.177630004 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.177630004 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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