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Home > Other Heterocycles > 953-78-6
953-78-6 | 2-METHYL-1,4-DIOXASPIRO[4.11]HEXADECANE
CAS No: 953-78-6 Catalog No: AG006596 MDL No:
Product Description
Catalog Number:
AG006596
Chemical Name:
2-METHYL-1,4-DIOXASPIRO[4.11]HEXADECANE
CAS Number:
953-78-6
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
3-methyl-1,4-dioxaspiro[4.11]hexadecane
InChI:
InChI=1S/C15H28O2/c1-14-13-16-15(17-14)11-9-7-5-3-2-4-6-8-10-12-15/h14H,2-13H2,1H3
InChI Key:
HDCUPDJOTUNHOM-UHFFFAOYSA-N
SMILES:
CC1COC2(O1)CCCCCCCCCCC2
EC Number:
213-466-7
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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