2-methylbutanoyloxymethyl 2-methylbutanoate

C11H20O4 — CID 20789926

IUPAC2-methylbutanoyloxymethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCOC(=O)C(C)CC
InChIInChI=1S/C11H20O4/c1-5-8(3)10(12)14-7-15-11(13)9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyBEQKPVAFQVCQOC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds6

About 2-methylbutanoyloxymethyl 2-methylbutanoate

2-methylbutanoyloxymethyl 2-methylbutanoate (PubChem CID 20789926) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methylbutanoyloxymethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-methylbutanoyloxymethyl 2-methylbutanoate
PubChem CID20789926
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-methylbutanoyloxymethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCOC(=O)C(C)CC
InChIInChI=1S/C11H20O4/c1-5-8(3)10(12)14-7-15-11(13)9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyBEQKPVAFQVCQOC-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl 2-methylbutanoate
CID 144747106
propyl (2R)-2-methylbutanoate
CID 86306230
2-methylbutylperoxymethyl 2-methylbutanoate
CID 157388543
1,1-difluoro-2-(2-methylbutanoyloxymethoxy)-2-oxoethanesulfonic acid
CID 58903316
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
methylsilylmethyl 2-methylbutanoate
CID 159920193
isocyanomethyl 2-methylbutanoate
CID 59266759
3-methylpentyl 2-methylbutanoate
CID 3019319
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497

Frequently Asked Questions

What is the IUPAC name of 2-methylbutanoyloxymethyl 2-methylbutanoate?
The IUPAC name of 2-methylbutanoyloxymethyl 2-methylbutanoate (CID 20789926) is 2-methylbutanoyloxymethyl 2-methylbutanoate.
What is the SMILES notation for 2-methylbutanoyloxymethyl 2-methylbutanoate?
The canonical SMILES for 2-methylbutanoyloxymethyl 2-methylbutanoate is CCC(C)C(=O)OCOC(=O)C(C)CC.
What is the InChIKey of 2-methylbutanoyloxymethyl 2-methylbutanoate?
The InChIKey is BEQKPVAFQVCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-8(3)10(12)14-7-15-11(13)9(4)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methylbutanoyloxymethyl 2-methylbutanoate?
2-methylbutanoyloxymethyl 2-methylbutanoate has a molecular weight of 216.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanoyloxymethyl 2-methylbutanoate is sourced from PubChem (CID 20789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).