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Home > Other Heterocycles > 94201-04-4
94201-04-4 | 4-(1,3-DIMETHYL-1,3-BUTADIENYL)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE
CAS No: 94201-04-4 Catalog No: AG005SW5 MDL No:
Product Description
Catalog Number:
AG005SW5
Chemical Name:
4-(1,3-DIMETHYL-1,3-BUTADIENYL)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE
CAS Number:
94201-04-4
Molecular Formula:
C16H24
Molecular Weight:
216.3618
IUPAC Name:
3,7,7-trimethyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]bicyclo[4.1.0]hept-2-ene
InChI:
InChI=1S/C16H24/c1-10(2)7-11(3)13-9-15-14(8-12(13)4)16(15,5)6/h7-8,13-15H,1,9H2,2-6H3/b11-7+
InChI Key:
IPOZECBFFCTICQ-YRNVUSSQSA-N
SMILES:
CC(=C)C=C(C1CC2C(C=C1C)C2(C)C)C
EC Number:
303-585-3
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
216.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.368g/mol
Monoisotopic Mass:
216.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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