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Home > Other Heterocycles > 81842-03-7
81842-03-7 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-[4-(4-methylphenyl)pentyl]-
CAS No: 81842-03-7 Catalog No: AG005HTV MDL No:
Product Description
Catalog Number:
AG005HTV
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-[4-(4-methylphenyl)pentyl]-
CAS Number:
81842-03-7
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
IUPAC Name:
8-[4-(4-methylphenyl)pentyl]-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C20H28O2/c1-16-6-8-19(9-7-16)17(2)4-3-5-18-10-12-20(13-11-18)21-14-15-22-20/h6-10,17H,3-5,11-15H2,1-2H3
InChI Key:
WNINCGQMVZMXTJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(CCCC1=CCC2(CC1)OCCO2)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.442g/mol
Monoisotopic Mass:
300.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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