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88729-75-3 | Cyclopentanone, 2-methyl-5-octyl-
CAS No: 88729-75-3 Catalog No: AG0045M7 MDL No:
Product Description
Catalog Number:
AG0045M7
Chemical Name:
Cyclopentanone, 2-methyl-5-octyl-
CAS Number:
88729-75-3
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
2-methyl-5-octylcyclopentan-1-one
InChI:
InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-13-11-10-12(2)14(13)15/h12-13H,3-11H2,1-2H3
InChI Key:
VRBKUBNFALOXMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1CCC(C1=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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