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116595-45-0 | 2,4-Octadiene, 3,7-dimethyl-, (Z,E)- (9CI)
CAS No: 116595-45-0 Catalog No: AG000CUG MDL No:
Product Description
Catalog Number:
AG000CUG
Chemical Name:
2,4-Octadiene, 3,7-dimethyl-, (Z,E)- (9CI)
CAS Number:
116595-45-0
Molecular Formula:
C10H18
Molecular Weight:
138.2499
IUPAC Name:
3,7-dimethylocta-2,4-diene
InChI:
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3
InChI Key:
NXFMFYVNTLULFW-UHFFFAOYSA-N
SMILES:
C/C=C(\C=C\CC(C)C)/C
Properties
Complexity:
127
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:
2
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| New terpene hydrocarbons from the alligatoridae (crocodylia, reptilia). | Journal of natural products 20030101 |
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