butyl 2-methyl-2-propanoyloxypropanoate

C11H20O4 — CID 153381899

IUPACbutyl 2-methyl-2-propanoyloxypropanoate
SMILESCCCCOC(=O)C(C)(C)OC(=O)CC
InChIInChI=1S/C11H20O4/c1-5-7-8-14-10(13)11(3,4)15-9(12)6-2/h5-8H2,1-4H3
InChIKeyWEORZJMDBQYWPR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds6

About butyl 2-methyl-2-propanoyloxypropanoate

butyl 2-methyl-2-propanoyloxypropanoate (PubChem CID 153381899) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is butyl 2-methyl-2-propanoyloxypropanoate.

Molecular Properties

Compound Namebutyl 2-methyl-2-propanoyloxypropanoate
PubChem CID153381899
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namebutyl 2-methyl-2-propanoyloxypropanoate
SMILESCCCCOC(=O)C(C)(C)OC(=O)CC
InChIInChI=1S/C11H20O4/c1-5-7-8-14-10(13)11(3,4)15-9(12)6-2/h5-8H2,1-4H3
InChIKeyWEORZJMDBQYWPR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-hydroperoxy-2-methylpropanoate
CID 71381107
butyl 2-iodo-2-methylpropanoate
CID 87865989
methyl 2-methyl-2-propanoyloxypropanoate
CID 54231226
butyl 2-ethyl-2,3,3-trimethylpentanoate
CID 166864152
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204
1-O-butyl 3-O-nonyl 2,2-dimethylpropanedioate
CID 91699199
butyl 3-hydroxy-3-methylbutanoate
CID 54482919
propan-2-yl 2-butoxycarbonyloxy-2-methylpropanoate
CID 156801074
dipentyl 2,2,3,3-tetramethylbutanedioate
CID 151610972
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051
butyl 2-amino-3-hydroxy-2-methylpropanoate
CID 91407475
butyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172031

Frequently Asked Questions

What is the IUPAC name of butyl 2-methyl-2-propanoyloxypropanoate?
The IUPAC name of butyl 2-methyl-2-propanoyloxypropanoate (CID 153381899) is butyl 2-methyl-2-propanoyloxypropanoate.
What is the SMILES notation for butyl 2-methyl-2-propanoyloxypropanoate?
The canonical SMILES for butyl 2-methyl-2-propanoyloxypropanoate is CCCCOC(=O)C(C)(C)OC(=O)CC.
What is the InChIKey of butyl 2-methyl-2-propanoyloxypropanoate?
The InChIKey is WEORZJMDBQYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-7-8-14-10(13)11(3,4)15-9(12)6-2/h5-8H2,1-4H3.
What are the key properties of butyl 2-methyl-2-propanoyloxypropanoate?
butyl 2-methyl-2-propanoyloxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methyl-2-propanoyloxypropanoate is sourced from PubChem (CID 153381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).