2,2-Dimethylcyclopentanone - CAS 4541-32-6
Catalog: |
BB025852 |
Product Name: |
2,2-Dimethylcyclopentanone |
CAS: |
4541-32-6 |
Synonyms: |
2,2-dimethylcyclopentan-1-one |
IUPAC Name: | 2,2-dimethylcyclopentan-1-one |
Description: | 2,2-Dimethylcyclopentanone (CAS# 4541-32-6) is a useful research chemical. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CC1(CCCC1=O)C |
InChI: | InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3 |
InChI Key: | FTGZMZBYOHMEPS-UHFFFAOYSA-N |
Boiling Point: | 148.1 ℃ at 760 mmHg |
Density: | 0.894 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00049164 |
LogP: | 1.76560 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004133-A | Preparation method of 2, 2-dimethyl cyclopentanone | 20210205 |
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PMID | Publication Date | Title | Journal |
21472188 | 20110521 | Synthesis of C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation, especially biological effect on bone by modification at the C-2 position | Organic & biomolecular chemistry |
12670239 | 20030409 | A highly enantioselective phosphabicyclooctane catalyst for the kinetic resolution of benzylic alcohols | Journal of the American Chemical Society |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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