Home Other Building Blocks 5-methylhex-3-en-1-yne, Mixture of isomers

5-methylhex-3-en-1-yne, Mixture of isomers

CAS No.:
38253-07-5
Catalog Number:
AG01BE8G
Molecular Formula:
C7H10
Molecular Weight:
94.1543
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Product Description
Catalog Number:
AG01BE8G
Chemical Name:
5-methylhex-3-en-1-yne, Mixture of isomers
CAS Number:
38253-07-5
Molecular Formula:
C7H10
Molecular Weight:
94.1543
MDL Number:
MFCD10570225
IUPAC Name:
(E)-5-methylhex-3-en-1-yne
InChI:
InChI=1S/C7H10/c1-4-5-6-7(2)3/h1,5-7H,2-3H3/b6-5+
InChI Key:
YPAAIRQADKROCE-AATRIKPKSA-N
SMILES:
C#CC=CC(C)C
Properties
Complexity:
98.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
94.078g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.157g/mol
Monoisotopic Mass:
94.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties