2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde

C11H18O4 — CID 141263542

IUPAC2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde
SMILESCCOCC1=CCC(C=O)(COCC)O1
InChIInChI=1S/C11H18O4/c1-3-13-7-10-5-6-11(8-12,15-10)9-14-4-2/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyXYWNQVDIXRBJBA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.30
Rot. Bonds7

About 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde

2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde (PubChem CID 141263542) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde.

Molecular Properties

Compound Name2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde
PubChem CID141263542
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde
SMILESCCOCC1=CCC(C=O)(COCC)O1
InChIInChI=1S/C11H18O4/c1-3-13-7-10-5-6-11(8-12,15-10)9-14-4-2/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyXYWNQVDIXRBJBA-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Trimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 141460443
1,4,5,6-Tetramethoxy-3-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 151194435
1,4,6-Trimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 153940674
1,2-Dimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 161384085
propan-2-yl 4-methoxy-5-prop-2-enyl-2H-furan-5-carboxylate
CID 11075103
4-Hydroxy-1,2-dimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 174964378

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde?
The IUPAC name of 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde (CID 141263542) is 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde.
What is the SMILES notation for 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde?
The canonical SMILES for 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde is CCOCC1=CCC(C=O)(COCC)O1.
What is the InChIKey of 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde?
The InChIKey is XYWNQVDIXRBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-13-7-10-5-6-11(8-12,15-10)9-14-4-2/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde?
2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethoxymethyl)-3H-furan-2-carbaldehyde is sourced from PubChem (CID 141263542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).