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89502-38-5 | Propanedioic acid, (1,5-dimethyl-4-hexenyl)(3-oxopropyl)-, diethyl ester
CAS No: 89502-38-5 Catalog No: AG0041ON MDL No:
Product Description
Catalog Number:
AG0041ON
Chemical Name:
Propanedioic acid, (1,5-dimethyl-4-hexenyl)(3-oxopropyl)-, diethyl ester
CAS Number:
89502-38-5
Molecular Formula:
C18H30O5
Molecular Weight:
326.4278
IUPAC Name:
diethyl 2-(6-methylhept-5-en-2-yl)-2-(3-oxopropyl)propanedioate
InChI:
InChI=1S/C18H30O5/c1-6-22-16(20)18(12-9-13-19,17(21)23-7-2)15(5)11-8-10-14(3)4/h10,13,15H,6-9,11-12H2,1-5H3
InChI Key:
FDQGODUHSUDSHF-UHFFFAOYSA-N
SMILES:
O=CCCC(C(=O)OCC)(C(=O)OCC)C(CCC=C(C)C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.433g/mol
Monoisotopic Mass:
326.209g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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