methyl 2,3-dimethylbutanoate

C7H14O2 — CID 520482

IUPACmethyl 2,3-dimethylbutanoate
SMILESCOC(=O)C(C)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3
InChIKeyYLXGEYQXFJAIBQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.45
Rot. Bonds2

About methyl 2,3-dimethylbutanoate

methyl 2,3-dimethylbutanoate (PubChem CID 520482) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is methyl 2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2,3-dimethylbutanoate
PubChem CID520482
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namemethyl 2,3-dimethylbutanoate
SMILESCOC(=O)C(C)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3
InChIKeyYLXGEYQXFJAIBQ-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethylbutanoate?
The IUPAC name of methyl 2,3-dimethylbutanoate (CID 520482) is methyl 2,3-dimethylbutanoate.
What is the SMILES notation for methyl 2,3-dimethylbutanoate?
The canonical SMILES for methyl 2,3-dimethylbutanoate is COC(=O)C(C)C(C)C.
What is the InChIKey of methyl 2,3-dimethylbutanoate?
The InChIKey is YLXGEYQXFJAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3.
What are the key properties of methyl 2,3-dimethylbutanoate?
methyl 2,3-dimethylbutanoate has a molecular weight of 130.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethylbutanoate is sourced from PubChem (CID 520482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).