(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal

C9H12O2 — CID 90902446

IUPAC(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal
SMILESC/C(=C\C1CC=CO1)CC=O
InChIInChI=1S/C9H12O2/c1-8(4-5-10)7-9-3-2-6-11-9/h2,5-7,9H,3-4H2,1H3/b8-7+
InChIKeyGNCVGXXVZRNNHT-BQYQJAHWSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds3

About (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal

(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal (PubChem CID 90902446) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal.

Molecular Properties

Compound Name(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal
PubChem CID90902446
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal
SMILESC/C(=C\C1CC=CO1)CC=O
InChIInChI=1S/C9H12O2/c1-8(4-5-10)7-9-3-2-6-11-9/h2,5-7,9H,3-4H2,1H3/b8-7+
InChIKeyGNCVGXXVZRNNHT-BQYQJAHWSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
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 (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal?
The IUPAC name of (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal (CID 90902446) is (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal.
What is the SMILES notation for (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal?
The canonical SMILES for (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal is C/C(=C\C1CC=CO1)CC=O.
What is the InChIKey of (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal?
The InChIKey is GNCVGXXVZRNNHT-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12O2/c1-8(4-5-10)7-9-3-2-6-11-9/h2,5-7,9H,3-4H2,1H3/b8-7+.
What are the key properties of (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal?
(E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal has a molecular weight of 152.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dihydrofuran-2-yl)-3-methylbut-3-enal is sourced from PubChem (CID 90902446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).