4-Ethyl-1-octanol - CAS 38514-07-7
Catalog: |
BB065420 |
Product Name: |
4-Ethyl-1-octanol |
CAS: |
38514-07-7 |
Synonyms: |
4-ethyloctan-1-ol; 1-Octanol, 4-ethyl-; 4-Ethyl-1-octanol |
IUPAC Name: | 4-ethyloctan-1-ol |
Molecular Weight: | 158.28 |
Molecular Formula: | C10H22O |
Canonical SMILES: | CCCCC(CC)CCCO |
InChI: | InChI=1S/C10H22O/c1-3-5-7-10(4-2)8-6-9-11/h10-11H,3-9H2,1-2H3 |
InChI Key: | ZNJPQKWYELNYIB-UHFFFAOYSA-N |
Complexity: | 71.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.167065321 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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