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88166-25-0 | 3-Penten-2-one, 4-[4-(1-methylethyl)cyclohexyl]-
CAS No: 88166-25-0 Catalog No: AG004DBC MDL No:
Product Description
Catalog Number:
AG004DBC
Chemical Name:
3-Penten-2-one, 4-[4-(1-methylethyl)cyclohexyl]-
CAS Number:
88166-25-0
Molecular Formula:
C14H24O
Molecular Weight:
208.3398
IUPAC Name:
4-(4-propan-2-ylcyclohexyl)pent-3-en-2-one
InChI:
InChI=1S/C14H24O/c1-10(2)13-5-7-14(8-6-13)11(3)9-12(4)15/h9-10,13-14H,5-8H2,1-4H3
InChI Key:
PQUGQQRQJQMLHM-UHFFFAOYSA-N
SMILES:
CC(=O)C=C(C1CCC(CC1)C(C)C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.183g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.345g/mol
Monoisotopic Mass:
208.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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