ethyl 2-methylbutanoate

C7H14O2 — CID 24020

IUPACethyl 2-methylbutanoate
SMILESCCOC(=O)C(C)CC
InChIInChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyHCRBXQFHJMCTLF-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.60
Rot. Bonds3

About ethyl 2-methylbutanoate

ethyl 2-methylbutanoate (PubChem CID 24020) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethyl 2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-methylbutanoate
PubChem CID24020
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethyl 2-methylbutanoate
SMILESCCOC(=O)C(C)CC
InChIInChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyHCRBXQFHJMCTLF-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butyl propionate
CID 11529
Isoamyl Acetate
CID 31276
Ethyl butyrate
CID 7762
Isoamyl butyrate
CID 7795
Butyl 2-methyl butyrate
CID 61812
Isobutyl Acetate
CID 8038
Ethyl isovalerate
CID 7945
2-Methylbutyl Acetate
CID 12209
Ethyl isobutyrate
CID 7342
Isoamyl propionate
CID 7772
Isobutyl butyrate
CID 10885
Methyl 2-methylbutyrate
CID 13357

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylbutanoate?
The IUPAC name of ethyl 2-methylbutanoate (CID 24020) is ethyl 2-methylbutanoate.
What is the SMILES notation for ethyl 2-methylbutanoate?
The canonical SMILES for ethyl 2-methylbutanoate is CCOC(=O)C(C)CC.
What is the InChIKey of ethyl 2-methylbutanoate?
The InChIKey is HCRBXQFHJMCTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-methylbutanoate?
ethyl 2-methylbutanoate has a molecular weight of 130.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylbutanoate is sourced from PubChem (CID 24020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).