2-Methylpropyl 5-chloro-2,2-dimethylpentanoate

C11H21ClO2CAS 109232-37-3220.74 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C11H21ClO2
Molar mass
220.74 g/mol
Exact mass
220.1230 Da
logP
3.23Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
109232-37-3
SMILES
CC(C)COC(=O)C(C)(C)CCCCl
InChIKey
KPAZLWVDWUAYII-UHFFFAOYSA-N
InChI
InChI=1S/C11H21ClO2/c1-9(2)8-14-10(13)11(3,4)6-5-7-12/h9H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

3 names
  • Pentanoic acid, 5-chloro-2,2-dimethyl-, 2-methylpropyl ester
  • Isobutyl 5-chloro-2,2-dimethylvalerate
  • Isobutyl 5-chloro-2,2-dimethylpentanoate

Work with 2-Methylpropyl 5-chloro-2,2-dimethylpentanoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate149105-26-049 % similar Glycidyl neodecanoate26761-45-548 % similar Isobutyl chloroformate543-27-141 % similar Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-140 % similar 1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate738606-43-440 % similar Bismuth neodecanoate34364-26-640 % similar Diisobutyl carbonate539-92-439 % similar Diisobutyl adipate141-04-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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