Structure Database (LMSD)

Common Name
Butyl butyryllactate
Systematic Name
1-butoxy-1-oxopropan-2-yl butanoate
Synonyms
LM ID
LMFA07010792
Formula
Exact Mass
Calculate m/z
216.13616
Sum Composition
Status
Active


Classification

String Representations

InChiKey (Click to copy)
NORZZKKLCYMBBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
SMILES (Click to copy)
CCCC(=O)OC(C)C(=O)OCCCC

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.74
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 2.63
Molar Refractivity 57.33

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Created at
-
Updated at
6th Jun 2022