ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid

C15H30O6 — CID 157438192

IUPACethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCOC(=O)C(C)C.COC(=O)C(C)C
InChIInChI=1S/C6H12O2.C5H10O2.C4H8O2/c1-4-8-6(7)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h5H,4H2,1-3H3;4H,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyBRIVFNYPGVCTLX-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid

ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid (PubChem CID 157438192) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid.

Molecular Properties

Compound Nameethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid
PubChem CID157438192
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Nameethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCOC(=O)C(C)C.COC(=O)C(C)C
InChIInChI=1S/C6H12O2.C5H10O2.C4H8O2/c1-4-8-6(7)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h5H,4H2,1-3H3;4H,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyBRIVFNYPGVCTLX-UHFFFAOYSA-N
XLogP2.75
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 150582435
chloromethyl 2-methylpropanoate;2-methylpropanoic acid
CID 158352100
2-methylpropanoic acid;ruthenium
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid?
The IUPAC name of ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid (CID 157438192) is ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid.
What is the SMILES notation for ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid?
The canonical SMILES for ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid is CC(C)C(=O)O.CCOC(=O)C(C)C.COC(=O)C(C)C.
What is the InChIKey of ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid?
The InChIKey is BRIVFNYPGVCTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O2.C4H8O2/c1-4-8-6(7)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h5H,4H2,1-3H3;4H,1-3H3;3H,1-2H3,(H,5,6).
What are the key properties of ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid?
ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid has a molecular weight of 306.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid is sourced from PubChem (CID 157438192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).