| CAS Number | 54982-76-2 |
| Catalog Number | AG003ATQ(AGN-PC-0JLG7M) |
| Chemical Name | 4-ethoxy-1-methyl-4-(propan-2-yl)cyclohex-1-ene |
| EC Number | 259-422-0 |
| IUPAC Name | 4-ethoxy-1-methyl-4-propan-2-ylcyclohexene |
| InChI | InChI=1S/C12H22O/c1-5-13-12(10(2)3)8-6-11(4)7-9-12/h6,10H,5,7-9H2,1-4H3 |
| InChI Key | RRBKCTRIOFQEIN-UHFFFAOYSA-N |
| MDL Number | MFCD18971736 |
| Molecular Formula | C12H22O |
| Molecular Weight | 182.3025 |
| SMILES | C(C)OC1(CC=C(CC1)C)C(C)C |
| Synonyms | 4-Ethoxy-4-isopropyl-1-methylcyclohexene,
54982-76-2,
Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-,
EINECS 259-422-0,
4-Ethoxy-4-(isopropyl)-1-methylcyclohexene,
AC1L33QS,
AC1Q58M4,
SCHEMBL16633973,
4-Ethoxy-1-methyl-4-isopropylcyclohexene,
4-Ethoxy-4-isopropylmethylcyclohex-1-ene,
4-ethoxy-1-methyl-4-propan-2-ylcyclohexene,
4-ethoxy-4-1-methylcyclohexene,
C12H22O,
4-ethoxy-4- -1-methylcyclohexene,
AR-1G2145,
C12-H22-O,
CID108303,
56698-26-1,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.307g/mol |
| Monoisotopic Mass | 182.167g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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