4-Octyl-1-dodecanol - CAS 123629-23-2
Catalog: |
BB058583 |
Product Name: |
4-Octyl-1-dodecanol |
CAS: |
123629-23-2 |
Synonyms: |
4-octyldodecan-1-ol; 4-Octyl-1-dodecanol |
IUPAC Name: | 4-octyldodecan-1-ol |
Description: | 4-Octyl-1-dodecanol works as a surfactant in cosmetics. |
Molecular Weight: | 298.55 |
Molecular Formula: | C20H42O |
Canonical SMILES: | CCCCCCCCC(CCCCCCCC)CCCO |
InChI: | InChI=1S/C20H42O/c1-3-5-7-9-11-13-16-20(18-15-19-21)17-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3 |
InChI Key: | VSSXCWBBLWZFCL-UHFFFAOYSA-N |
References: | Noweck, K., et al. Ullmann's Encyclopedia of Industrial Chemistry (2006). |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.323565959 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.323565959 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9.2 |
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