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138208-67-0 | Decanoic acid, 4-methylpentyl ester
CAS No: 138208-67-0 Catalog No: AG0018B2 MDL No:
Product Description
Catalog Number:
AG0018B2
Chemical Name:
Decanoic acid, 4-methylpentyl ester
CAS Number:
138208-67-0
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
4-methylpentyl decanoate
InChI:
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-13-16(17)18-14-11-12-15(2)3/h15H,4-14H2,1-3H3
InChI Key:
KEIDIOZOTSZXPK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCCCC(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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