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113478-68-5 | 1,3,4,8-Dodecatetraen-6-yne, 5-ethyl-3,8-dimethyl-
CAS No: 113478-68-5 Catalog No: AG0008PC MDL No:
Product Description
Catalog Number:
AG0008PC
Chemical Name:
1,3,4,8-Dodecatetraen-6-yne, 5-ethyl-3,8-dimethyl-
CAS Number:
113478-68-5
Molecular Formula:
C16H22
Molecular Weight:
214.3459
IUPAC Name:
5-ethyl-3,8-dimethyldodeca-1,3,4,8-tetraen-6-yne
InChI:
InChI=1S/C16H22/c1-6-9-10-15(5)11-12-16(8-3)13-14(4)7-2/h7,10H,2,6,8-9H2,1,3-5H3
InChI Key:
IBWHFDYNAWMYPW-UHFFFAOYSA-N
SMILES:
CCCC=C(C#CC(=C=C(C=C)C)CC)C
Properties
Complexity:
384
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.172g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.352g/mol
Monoisotopic Mass:
214.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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