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Home > Other Heterocycles > 87978-41-4
87978-41-4 | Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-5-propoxypentyl)-
CAS No: 87978-41-4 Catalog No: AG004OUN MDL No:
Product Description
Catalog Number:
AG004OUN
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-5-propoxypentyl)-
CAS Number:
87978-41-4
Molecular Formula:
C18H32O
Molecular Weight:
264.4461
IUPAC Name:
2,6-dimethyl-6-(4-methyl-5-propoxypentyl)bicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C18H32O/c1-5-11-19-13-14(2)7-6-10-18(4)16-9-8-15(3)17(18)12-16/h8,14,16-17H,5-7,9-13H2,1-4H3
InChI Key:
KKYZDYCTDOFIIS-UHFFFAOYSA-N
SMILES:
CCCOCC(CCCC1(C)C2CC=C(C1C2)C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.245g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.453g/mol
Monoisotopic Mass:
264.245g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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