4-(4-butylcyclohexyl) cyclohexanone - CAS 92413-47-3
Catalog: |
BB053704 |
Product Name: |
4-(4-butylcyclohexyl) cyclohexanone |
CAS: |
92413-47-3 |
Synonyms: |
trans-4-Butyl-1,1'-bicyclohexyl-4-one; [1,1'-Bicyclohexyl]-4-one, 4'-butyl-, trans- |
IUPAC Name: | 4-(4-butylcyclohexyl)cyclohexan-1-one |
Molecular Weight: | 236.39 |
Molecular Formula: | C16H28O |
Canonical SMILES: | CCCCC1CCC(CC1)C2CCC(=O)CC2 |
InChI: | InChI=1S/C16H28O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h13-15H,2-12H2,1H3/t13-,14- |
InChI Key: | LDUYZTOYURUHIX-HDJSIYSDSA-N |
Boiling Point: | 327.8±10.0 °C at 760 mmHg |
Purity: | >98% by GC |
Density: | 0.9±0.1 g/cm3 |
Appearance: | White Powder |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD06797514 |
Precautionary Statement: | P261-P305P351P338 |
Signal Word: | Warning |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.214015512 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.214015512 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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Related Functional Groups
Carbonyl Compounds
Cyclohexane
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