3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal

C10H14O3 — CID 11105988

IUPAC3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal
SMILESCCC1=C[C@@](C)(CCC=O)OC1=O
InChIInChI=1S/C10H14O3/c1-3-8-7-10(2,5-4-6-11)13-9(8)12/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyVHPRIIYVLHYYHO-SNVBAGLBSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal

3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal (PubChem CID 11105988) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal.

Molecular Properties

Compound Name3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal
PubChem CID11105988
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal
SMILESCCC1=C[C@@](C)(CCC=O)OC1=O
InChIInChI=1S/C10H14O3/c1-3-8-7-10(2,5-4-6-11)13-9(8)12/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyVHPRIIYVLHYYHO-SNVBAGLBSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(5S)-3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal?
The IUPAC name of 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal (CID 11105988) is 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal.
What is the SMILES notation for 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal?
The canonical SMILES for 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal is CCC1=C[C@@](C)(CCC=O)OC1=O.
What is the InChIKey of 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal?
The InChIKey is VHPRIIYVLHYYHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-8-7-10(2,5-4-6-11)13-9(8)12/h6-7H,3-5H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal?
3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-ethyl-2-methyl-5-oxofuran-2-yl]propanal is sourced from PubChem (CID 11105988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).