2-prop-2-enoxypropanal

C6H10O2 — CID 15074887

IUPAC2-prop-2-enoxypropanal
SMILESC=CCOC(C)C=O
InChIInChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h3,5-6H,1,4H2,2H3
InChIKeyHIZLQBFGVWJIQL-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds4

About 2-prop-2-enoxypropanal

2-prop-2-enoxypropanal (PubChem CID 15074887) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-prop-2-enoxypropanal.

Molecular Properties

Compound Name2-prop-2-enoxypropanal
PubChem CID15074887
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-prop-2-enoxypropanal
SMILESC=CCOC(C)C=O
InChIInChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h3,5-6H,1,4H2,2H3
InChIKeyHIZLQBFGVWJIQL-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxypropanal?
The IUPAC name of 2-prop-2-enoxypropanal (CID 15074887) is 2-prop-2-enoxypropanal.
What is the SMILES notation for 2-prop-2-enoxypropanal?
The canonical SMILES for 2-prop-2-enoxypropanal is C=CCOC(C)C=O.
What is the InChIKey of 2-prop-2-enoxypropanal?
The InChIKey is HIZLQBFGVWJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-prop-2-enoxypropanal?
2-prop-2-enoxypropanal has a molecular weight of 114.14 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypropanal is sourced from PubChem (CID 15074887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).