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74630-29-8 | 1,5-Heptadiene, 3,3,5-trimethyl-
CAS No: 74630-29-8 Catalog No: AG005J2B MDL No:
Product Description
Catalog Number:
AG005J2B
Chemical Name:
1,5-Heptadiene, 3,3,5-trimethyl-
CAS Number:
74630-29-8
Molecular Formula:
C10H18
Molecular Weight:
138.2499
IUPAC Name:
3,3,5-trimethylhepta-1,5-diene
InChI:
InChI=1S/C10H18/c1-6-9(3)8-10(4,5)7-2/h6-7H,2,8H2,1,3-5H3
InChI Key:
LYSNVLBVPTUPMT-UHFFFAOYSA-N
SMILES:
CC=C(CC(C=C)(C)C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.141g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.254g/mol
Monoisotopic Mass:
138.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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