2-ethylbutyl 2-methylpropanoate

C10H20O2 — CID 551315

IUPAC2-ethylbutyl 2-methylpropanoate
SMILESCCC(CC)COC(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-5-9(6-2)7-12-10(11)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXDWGLYKCIOIXFM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds5

About 2-ethylbutyl 2-methylpropanoate

2-ethylbutyl 2-methylpropanoate (PubChem CID 551315) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethylbutyl 2-methylpropanoate.

Molecular Properties

Compound Name2-ethylbutyl 2-methylpropanoate
PubChem CID551315
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethylbutyl 2-methylpropanoate
SMILESCCC(CC)COC(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-5-9(6-2)7-12-10(11)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXDWGLYKCIOIXFM-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-4-(2-methylpropanoyloxymethyl)hexyl] butanoate
CID 139749107
2-aminobutyl 2-methylpropanoate
CID 123412425
2-iodobutyl 2-methylpropanoate
CID 87446534
bis(2-ethylbutyl) butanedioate
CID 87567542
2-propylhexyl 2-methylpropanoate
CID 129131557
2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 164522739
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587
bis(2-ethylbutyl) (2S)-2-aminobutanedioate
CID 139467200
[1-(2-ethylbutoxy)-1-oxopropan-2-yl]oxyphosphonamidic acid
CID 166731877
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
2,2-dimethoxyethyl 2-methylpropanoate
CID 86008683

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 2-methylpropanoate?
The IUPAC name of 2-ethylbutyl 2-methylpropanoate (CID 551315) is 2-ethylbutyl 2-methylpropanoate.
What is the SMILES notation for 2-ethylbutyl 2-methylpropanoate?
The canonical SMILES for 2-ethylbutyl 2-methylpropanoate is CCC(CC)COC(=O)C(C)C.
What is the InChIKey of 2-ethylbutyl 2-methylpropanoate?
The InChIKey is XDWGLYKCIOIXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9(6-2)7-12-10(11)8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethylbutyl 2-methylpropanoate?
2-ethylbutyl 2-methylpropanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 2-methylpropanoate is sourced from PubChem (CID 551315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).