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70172-07-5 | 6-(3-ETHOXYBUTEN-1-YL)-1,5,5-TRIMETHYLCYCLOHEXENE
CAS No: 70172-07-5 Catalog No: AG005KRU MDL No:
Product Description
Catalog Number:
AG005KRU
Chemical Name:
6-(3-ETHOXYBUTEN-1-YL)-1,5,5-TRIMETHYLCYCLOHEXENE
CAS Number:
70172-07-5
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
6-[(E)-3-ethoxybut-1-enyl]-1,5,5-trimethylcyclohexene
InChI:
InChI=1S/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h8-10,13-14H,6-7,11H2,1-5H3/b10-9+
InChI Key:
OBPLZLQGJGRDSL-MDZDMXLPSA-N
SMILES:
CCOC(C=CC1C(=CCCC1(C)C)C)C
EC Number:
274-359-9
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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