1-Methoxy-3-(penta-3-yl)benzene - CAS 1365656-08-1
Catalog: |
BB075904 |
Product Name: |
1-Methoxy-3-(penta-3-yl)benzene |
CAS: |
1365656-08-1 |
Synonyms: |
1-Methoxy-3-(pentan-3-yl)benzene |
IUPAC Name: | 1-methoxy-3-pentan-3-ylbenzene |
Description: | 1-Methoxy-3-(penta-3-yl)benzene is an intermediate in the synthesis of a component of the carbamate insecticide Bufencarb (B689385). |
Molecular Weight: | 178.27 |
Molecular Formula: | C12H18O |
Canonical SMILES: | CCC(CC)C1=CC(=CC=C1)OC |
InChI: | InChI=1S/C12H18O/c1-4-10(5-2)11-7-6-8-12(9-11)13-3/h6-10H,4-5H2,1-3H3 |
InChI Key: | VCPHKJRGXCPQSR-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM, Hexane |
Appearance: | Clear Oil |
References: | Nesterova, T.N., et al. J. Chem. Thermo., 21, 385 (1989); Steele, B.R., et al. Tetrahedron. Lett., 47, 2093 (2006). |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.135765193 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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