formyl 2,2-dimethylpropanoate;bis(pyridine)

C16H20N2O3 — CID 175298462

IUPACformyl 2,2-dimethylpropanoate;bis(pyridine)
SMILESCC(C)(C)C(=O)OC=O.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H10O3.2C5H5N/c1-6(2,3)5(8)9-4-7;2*1-2-4-6-5-3-1/h4H,1-3H3;2*1-5H
InChIKeyCJXMYJJNUAPBNR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.90
Rot. Bonds1

About formyl 2,2-dimethylpropanoate;bis(pyridine)

formyl 2,2-dimethylpropanoate;bis(pyridine) (PubChem CID 175298462) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is formyl 2,2-dimethylpropanoate;bis(pyridine).

Molecular Properties

Compound Nameformyl 2,2-dimethylpropanoate;bis(pyridine)
PubChem CID175298462
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameformyl 2,2-dimethylpropanoate;bis(pyridine)
SMILESCC(C)(C)C(=O)OC=O.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H10O3.2C5H5N/c1-6(2,3)5(8)9-4-7;2*1-2-4-6-5-3-1/h4H,1-3H3;2*1-5H
InChIKeyCJXMYJJNUAPBNR-UHFFFAOYSA-N
XLogP2.90
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

lithium;formyl 2,2-dimethylpropanoate;hydride
CID 174785944
lithium;zinc;tris(2,2-dimethylpropanoate);pyridine
CID 139143810
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CID 158008580
acetic acid;ethane;pyridine
CID 91392032
acetic acid;bis(pyridine);hydrate
CID 67804829
silver;2-hydroxy-2-methylpropanoate;pyridine
CID 162318466
but-2-enedioic acid;bis(pyridine)
CID 173055227
acetyl bromide;pyridine
CID 87730061
acetyl acetate;ethane;pyridine
CID 143350505
tert-butyl formate;pyridine;pyrrolidine
CID 175607209
methanethioic S-acid;pyridine
CID 163488022
pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate
CID 175595452

Frequently Asked Questions

What is the IUPAC name of formyl 2,2-dimethylpropanoate;bis(pyridine)?
The IUPAC name of formyl 2,2-dimethylpropanoate;bis(pyridine) (CID 175298462) is formyl 2,2-dimethylpropanoate;bis(pyridine).
What is the SMILES notation for formyl 2,2-dimethylpropanoate;bis(pyridine)?
The canonical SMILES for formyl 2,2-dimethylpropanoate;bis(pyridine) is CC(C)(C)C(=O)OC=O.c1ccncc1.c1ccncc1.
What is the InChIKey of formyl 2,2-dimethylpropanoate;bis(pyridine)?
The InChIKey is CJXMYJJNUAPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2C5H5N/c1-6(2,3)5(8)9-4-7;2*1-2-4-6-5-3-1/h4H,1-3H3;2*1-5H.
What are the key properties of formyl 2,2-dimethylpropanoate;bis(pyridine)?
formyl 2,2-dimethylpropanoate;bis(pyridine) has a molecular weight of 288.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 2,2-dimethylpropanoate;bis(pyridine) is sourced from PubChem (CID 175298462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).