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89745-99-3 | Benzene, [1-[(1,1-dimethyl-4-pentenyl)oxy]-1-propenyl]-
CAS No: 89745-99-3 Catalog No: AG0040UI MDL No:
Product Description
Catalog Number:
AG0040UI
Chemical Name:
Benzene, [1-[(1,1-dimethyl-4-pentenyl)oxy]-1-propenyl]-
CAS Number:
89745-99-3
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
1-(2-methylhex-5-en-2-yloxy)prop-1-enylbenzene
InChI:
InChI=1S/C16H22O/c1-5-7-13-16(3,4)17-15(6-2)14-11-9-8-10-12-14/h5-6,8-12H,1,7,13H2,2-4H3
InChI Key:
CUAYDXNAFPWBKX-UHFFFAOYSA-N
SMILES:
CC=C(c1ccccc1)OC(CCC=C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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