4-Isopropylcyclohexanone - CAS 5432-85-9
Catalog: |
BB028604 |
Product Name: |
4-Isopropylcyclohexanone |
CAS: |
5432-85-9 |
Synonyms: |
4-propan-2-yl-1-cyclohexanone; 4-propan-2-ylcyclohexan-1-one |
IUPAC Name: | 4-propan-2-ylcyclohexan-1-one |
Description: | 4-Isopropylcyclohexanone (CAS# 5432-85-9) is used in the synthesis of dihydroindol-2-ones as agonists and antagonist ligands at the nociceptin receptor. Also it is used to synthesize new β-alanine derivatives as orally available glucagon receptor antagonists. |
Molecular Weight: | 140.22 |
Molecular Formula: | C9H16O |
Canonical SMILES: | CC(C)C1CCC(=O)CC1 |
InChI: | InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3 |
InChI Key: | FPKISACHVIIMRA-UHFFFAOYSA-N |
Boiling Point: | 94 °C |
Purity: | 98 % |
Density: | 0.904 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Colorless to pale yellow liquid |
MDL: | MFCD00043479 |
LogP: | 2.40170 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16146362 | 20050915 | Highly diastereoselective formation of spirocyclic compounds via 1,5-hydrogen transfer: a total synthesis of (-)-erythrodiene | Organic letters |
15736149 | 20050422 | Stereoselective synthesis of cis-p-menth-8-ene-1,7-diol, cis-p-menthane-1,7-diol, and cis-p-menthane-1,7,8-triol | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.120115130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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