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89208-18-4 | 1,8-Dioxacyclotetradecane-2,7-dione, 4-(1-methylethyl)-
CAS No: 89208-18-4 Catalog No: AG0045HD MDL No:
Product Description
Catalog Number:
AG0045HD
Chemical Name:
1,8-Dioxacyclotetradecane-2,7-dione, 4-(1-methylethyl)-
CAS Number:
89208-18-4
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
4-propan-2-yl-1,8-dioxacyclotetradecane-2,7-dione
InChI:
InChI=1S/C15H26O4/c1-12(2)13-7-8-14(16)18-9-5-3-4-6-10-19-15(17)11-13/h12-13H,3-11H2,1-2H3
InChI Key:
OBKMRDCEEPZNPB-UHFFFAOYSA-N
SMILES:
O=C1OCCCCCCOC(=O)CC(CC1)C(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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