(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde

C10H14O3 — CID 10773769

IUPAC(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
SMILESC=CCC[C@H]1O[C@H](OC)C=C1C=O
InChIInChI=1S/C10H14O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h3,6-7,9-10H,1,4-5H2,2H3/t9-,10+/m1/s1
InChIKeyLXVUYPOTEYIMMF-ZJUUUORDSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds5

About (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde

(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde (PubChem CID 10773769) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde.

Molecular Properties

Compound Name(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
PubChem CID10773769
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
SMILESC=CCC[C@H]1O[C@H](OC)C=C1C=O
InChIInChI=1S/C10H14O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h3,6-7,9-10H,1,4-5H2,2H3/t9-,10+/m1/s1
InChIKeyLXVUYPOTEYIMMF-ZJUUUORDSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The IUPAC name of (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde (CID 10773769) is (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde.
What is the SMILES notation for (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The canonical SMILES for (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde is C=CCC[C@H]1O[C@H](OC)C=C1C=O.
What is the InChIKey of (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The InChIKey is LXVUYPOTEYIMMF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h3,6-7,9-10H,1,4-5H2,2H3/t9-,10+/m1/s1.
What are the key properties of (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde is sourced from PubChem (CID 10773769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).