2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate

C15H20O5 — CID 58887334

IUPAC2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate
SMILESCCC(C)(C)C(=O)OCCOC(=O)c1ccccc1O
InChIInChI=1S/C15H20O5/c1-4-15(2,3)14(18)20-10-9-19-13(17)11-7-5-6-8-12(11)16/h5-8,16H,4,9-10H2,1-3H3
InChIKeyYLKXYPVEAYKXGM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds6

About 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate

2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate (PubChem CID 58887334) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate
PubChem CID58887334
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate
SMILESCCC(C)(C)C(=O)OCCOC(=O)c1ccccc1O
InChIInChI=1S/C15H20O5/c1-4-15(2,3)14(18)20-10-9-19-13(17)11-7-5-6-8-12(11)16/h5-8,16H,4,9-10H2,1-3H3
InChIKeyYLKXYPVEAYKXGM-UHFFFAOYSA-N
XLogP2.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphoryloxyethyl 2,2-dimethylbutanoate
CID 164525001
hexacosyl 2-hydroxybenzoate
CID 19044965
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
icosyl 2-hydroxybenzoate
CID 19044963
hexyl 2-hydroxybenzoate
CID 22629
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
2-chloroethyl 2-hydroxybenzoate
CID 13052757
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
2-[2-(2-methyl-2-methylphosphanylbutanoyl)oxyethoxycarbonyl]benzoic acid
CID 144906587
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate?
The IUPAC name of 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate (CID 58887334) is 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate?
The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate is CCC(C)(C)C(=O)OCCOC(=O)c1ccccc1O.
What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate?
The InChIKey is YLKXYPVEAYKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-15(2,3)14(18)20-10-9-19-13(17)11-7-5-6-8-12(11)16/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate?
2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoyloxy)ethyl 2-hydroxybenzoate is sourced from PubChem (CID 58887334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).