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125191-31-3 | Pentadecanone, trimethyl-
CAS No: 125191-31-3 Catalog No: AG000NCC MDL No:
Product Description
Catalog Number:
AG000NCC
Chemical Name:
Pentadecanone, trimethyl-
CAS Number:
125191-31-3
Molecular Formula:
C18H36O
Molecular Weight:
268.4778
IUPAC Name:
2,2-dimethylhexadecan-3-one
InChI:
InChI=1S/C18H36O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2,3)4/h5-16H2,1-4H3
InChI Key:
KHQOKXNPFOPAFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.277g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.485g/mol
Monoisotopic Mass:
268.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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