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Home > Other Heterocycles > 88672-90-6
88672-90-6 | Tetraspiro[2.0.0.5.1.0.5.0]heptadecane
CAS No: 88672-90-6 Catalog No: AG0047OO MDL No:
Product Description
Catalog Number:
AG0047OO
Chemical Name:
Tetraspiro[2.0.0.5.1.0.5.0]heptadecane
CAS Number:
88672-90-6
Molecular Formula:
C33H58
Molecular Weight:
454.8136
IUPAC Name:
13-[1-(6,6-dimethylspiro[6.6]tridecan-13-yl)cyclopropyl]-6,6-dimethylspiro[6.6]tridecane
InChI:
InChI=1S/C33H58/c1-29(2)19-11-7-15-23-32(29)21-13-5-9-17-27(32)31(25-26-31)28-18-10-6-14-22-33(28)24-16-8-12-20-30(33,3)4/h27-28H,5-26H2,1-4H3
InChI Key:
DJKLIIHOERNEHJ-UHFFFAOYSA-N
SMILES:
CC1(C)CCCCCC21CCCCCC2C1(CC1)C1CCCCCC21CCCCCC2(C)C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.454g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.827g/mol
Monoisotopic Mass:
454.454g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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