Ethyl 3-Hydroxy-2,2-dimethylhexanoate - CAS 137394-65-1
Catalog: |
BB008557 |
Product Name: |
Ethyl 3-Hydroxy-2,2-dimethylhexanoate |
CAS: |
137394-65-1 |
Synonyms: |
3-hydroxy-2,2-dimethylhexanoic acid ethyl ester; ethyl 3-hydroxy-2,2-dimethylhexanoate |
IUPAC Name: | ethyl 3-hydroxy-2,2-dimethylhexanoate |
Description: | Ethyl 3-Hydroxy-2,2-dimethylhexanoate (CAS# 137394-65-1 ) is a useful research chemical. |
Molecular Weight: | 188.26 |
Molecular Formula: | C10H20O3 |
Canonical SMILES: | CCCC(C(C)(C)C(=O)OCC)O |
InChI: | InChI=1S/C10H20O3/c1-5-7-8(11)10(3,4)9(12)13-6-2/h8,11H,5-7H2,1-4H3 |
InChI Key: | BWKVMAVUBDWUJF-UHFFFAOYSA-N |
LogP: | 1.73670 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.1412445 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.1412445 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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