propanoyloxymethyl 2,2-dimethylpropanoate

C9H16O4 — CID 15135438

IUPACpropanoyloxymethyl 2,2-dimethylpropanoate
SMILESCCC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C9H16O4/c1-5-7(10)12-6-13-8(11)9(2,3)4/h5-6H2,1-4H3
InChIKeyFQKPQONAJQGAFB-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.49
Rot. Bonds3

About propanoyloxymethyl 2,2-dimethylpropanoate

propanoyloxymethyl 2,2-dimethylpropanoate (PubChem CID 15135438) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is propanoyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namepropanoyloxymethyl 2,2-dimethylpropanoate
PubChem CID15135438
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namepropanoyloxymethyl 2,2-dimethylpropanoate
SMILESCCC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C9H16O4/c1-5-7(10)12-6-13-8(11)9(2,3)4/h5-6H2,1-4H3
InChIKeyFQKPQONAJQGAFB-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of propanoyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of propanoyloxymethyl 2,2-dimethylpropanoate (CID 15135438) is propanoyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for propanoyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for propanoyloxymethyl 2,2-dimethylpropanoate is CCC(=O)OCOC(=O)C(C)(C)C.
What is the InChIKey of propanoyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is FQKPQONAJQGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-7(10)12-6-13-8(11)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of propanoyloxymethyl 2,2-dimethylpropanoate?
propanoyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 188.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15135438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).