Home Other Building Blocks Butanoic acid, 3-methyl-, pentyl ester

Butanoic acid, 3-methyl-, pentyl ester

CAS No.:
25415-62-7
Catalog Number:
AG01CKLT
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG01CKLT
Chemical Name:
Butanoic acid, 3-methyl-, pentyl ester
CAS Number:
25415-62-7
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00048848
IUPAC Name:
pentyl 3-methylbutanoate
InChI:
InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChI Key:
QURFFFCYNQXLCU-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CC(C)C
EC Number:
246-954-3
NSC Number:
46107
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties