2-methylbutyl 2-ethylbenzoate

C14H20O2 — CID 175585284

IUPAC2-methylbutyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCC(C)CC
InChIInChI=1S/C14H20O2/c1-4-11(3)10-16-14(15)13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyIECDRAIQWZIFII-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.45
Rot. Bonds5

About 2-methylbutyl 2-ethylbenzoate

2-methylbutyl 2-ethylbenzoate (PubChem CID 175585284) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methylbutyl 2-ethylbenzoate.

Molecular Properties

Compound Name2-methylbutyl 2-ethylbenzoate
PubChem CID175585284
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-methylbutyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCC(C)CC
InChIInChI=1S/C14H20O2/c1-4-11(3)10-16-14(15)13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyIECDRAIQWZIFII-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutyl 2-methylsulfanylbenzoate
CID 91721129
2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
CID 23024581
2-O-(2-methylbutyl) 1-O-undecyl benzene-1,2-dicarboxylate
CID 91720190
1-O-dodecyl 2-O-(2-methylbutyl) benzene-1,2-dicarboxylate
CID 91720248
propan-2-yl 2-ethylbenzenecarboperoxoate
CID 90357464
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-hexyldecyl 2-ethylbenzoate
CID 139434549
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
[(2R)-1-amino-1-oxobutan-2-yl] 2-ethylbenzoate
CID 140582334
2-methylpentyl 2-sulfanylbenzoate
CID 107019144
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-ethylbenzoate?
The IUPAC name of 2-methylbutyl 2-ethylbenzoate (CID 175585284) is 2-methylbutyl 2-ethylbenzoate.
What is the SMILES notation for 2-methylbutyl 2-ethylbenzoate?
The canonical SMILES for 2-methylbutyl 2-ethylbenzoate is CCc1ccccc1C(=O)OCC(C)CC.
What is the InChIKey of 2-methylbutyl 2-ethylbenzoate?
The InChIKey is IECDRAIQWZIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(3)10-16-14(15)13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-methylbutyl 2-ethylbenzoate?
2-methylbutyl 2-ethylbenzoate has a molecular weight of 220.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-ethylbenzoate is sourced from PubChem (CID 175585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).