chempirical

Pentyl pentanoate

C10H20O2CAS 2173-56-0172.27 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H20O2
Molar mass
172.27 g/mol
Exact mass
172.1463 Da
Melting point
−78.8 °C
Boiling point
203.7 °C
logP
2.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
2173-56-0
SMILES
CCCCCOC(=O)CCCC
InChIKey
FGPPDYNPZTUNIU-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Pentanoic acid, pentyl ester
  • Valeric acid, pentyl ester
  • Amyl valerate
  • Amyl valerianate
  • Pentyl valerate
  • 1-Pentyl n-valerate
  • n-Pentyl pentanoate
  • NSC 76414

Work with Pentyl pentanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentyl hexanoate540-07-892 % similar Dioctyl adipate123-79-588 % similar Decyl decanoate1654-86-088 % similar Dioctyl decanedioate2432-87-388 % similar Stearyl stearate2778-96-388 % similar Myristyl myristate3234-85-388 % similar Decyl laurate36528-28-688 % similar Dinonyl sebacate4121-16-888 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6

Elsewhere

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