2-[(E)-but-2-enoxy]-2-methylpropanal

C8H14O2 — CID 131239427

IUPAC2-[(E)-but-2-enoxy]-2-methylpropanal
SMILESC/C=C/COC(C)(C)C=O
InChIInChI=1S/C8H14O2/c1-4-5-6-10-8(2,3)7-9/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyXINOENFYXDFZCJ-SNAWJCMRSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds4

About 2-[(E)-but-2-enoxy]-2-methylpropanal

2-[(E)-but-2-enoxy]-2-methylpropanal (PubChem CID 131239427) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-2-methylpropanal.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-2-methylpropanal
PubChem CID131239427
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[(E)-but-2-enoxy]-2-methylpropanal
SMILESC/C=C/COC(C)(C)C=O
InChIInChI=1S/C8H14O2/c1-4-5-6-10-8(2,3)7-9/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyXINOENFYXDFZCJ-SNAWJCMRSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
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-[(E)-but-2-enoxy]-2-methylpropanal?
The IUPAC name of 2-[(E)-but-2-enoxy]-2-methylpropanal (CID 131239427) is 2-[(E)-but-2-enoxy]-2-methylpropanal.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-2-methylpropanal?
The canonical SMILES for 2-[(E)-but-2-enoxy]-2-methylpropanal is C/C=C/COC(C)(C)C=O.
What is the InChIKey of 2-[(E)-but-2-enoxy]-2-methylpropanal?
The InChIKey is XINOENFYXDFZCJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-10-8(2,3)7-9/h4-5,7H,6H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-but-2-enoxy]-2-methylpropanal?
2-[(E)-but-2-enoxy]-2-methylpropanal has a molecular weight of 142.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-2-methylpropanal is sourced from PubChem (CID 131239427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).