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

C10H16O3 — CID 10487734

IUPAC(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
SMILESCCCC[C@H]1O[C@H](OC)C=C1C=O
InChIInChI=1S/C10H16O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h6-7,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1
InChIKeyIKCCJOQYTOQHGS-ZJUUUORDSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds5

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

(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde (PubChem CID 10487734) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde.

Molecular Properties

Compound Name(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
PubChem CID10487734
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
SMILESCCCC[C@H]1O[C@H](OC)C=C1C=O
InChIInChI=1S/C10H16O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h6-7,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1
InChIKeyIKCCJOQYTOQHGS-ZJUUUORDSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The IUPAC name of (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde (CID 10487734) is (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde.
What is the SMILES notation for (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The canonical SMILES for (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde is CCCC[C@H]1O[C@H](OC)C=C1C=O.
What is the InChIKey of (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
The InChIKey is IKCCJOQYTOQHGS-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-9-8(7-11)6-10(12-2)13-9/h6-7,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde?
(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde is sourced from PubChem (CID 10487734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).