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6976-67-6 | 2-(dec-9-en-1-yl)-5,5-dimethyl-4-(propan-2-yl)-1,3-dioxane
CAS No: 6976-67-6 Catalog No: AG005I0I MDL No:
Product Description
Catalog Number:
AG005I0I
Chemical Name:
2-(dec-9-en-1-yl)-5,5-dimethyl-4-(propan-2-yl)-1,3-dioxane
CAS Number:
6976-67-6
Molecular Formula:
C19H36O2
Molecular Weight:
296.4879
IUPAC Name:
2-dec-9-enyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
InChI:
InChI=1S/C19H36O2/c1-6-7-8-9-10-11-12-13-14-17-20-15-19(4,5)18(21-17)16(2)3/h6,16-18H,1,7-15H2,2-5H3
InChI Key:
YPYNEVLQTMVQRM-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC1OCC(C(O1)C(C)C)(C)C
NSC Number:
24746
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.272g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.495g/mol
Monoisotopic Mass:
296.272g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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