3,5-dimethoxyoxolane-3-carbaldehyde

C7H12O4 — CID 23294704

IUPAC3,5-dimethoxyoxolane-3-carbaldehyde
SMILESCOC1CC(C=O)(OC)CO1
InChIInChI=1S/C7H12O4/c1-9-6-3-7(4-8,10-2)5-11-6/h4,6H,3,5H2,1-2H3
InChIKeyAVFCIVAVZHKRQO-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.04
Rot. Bonds3

About 3,5-dimethoxyoxolane-3-carbaldehyde

3,5-dimethoxyoxolane-3-carbaldehyde (PubChem CID 23294704) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3,5-dimethoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethoxyoxolane-3-carbaldehyde
PubChem CID23294704
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3,5-dimethoxyoxolane-3-carbaldehyde
SMILESCOC1CC(C=O)(OC)CO1
InChIInChI=1S/C7H12O4/c1-9-6-3-7(4-8,10-2)5-11-6/h4,6H,3,5H2,1-2H3
InChIKeyAVFCIVAVZHKRQO-UHFFFAOYSA-N
XLogP-0.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxyoxolane-3-carbaldehyde?
The IUPAC name of 3,5-dimethoxyoxolane-3-carbaldehyde (CID 23294704) is 3,5-dimethoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 3,5-dimethoxyoxolane-3-carbaldehyde?
The canonical SMILES for 3,5-dimethoxyoxolane-3-carbaldehyde is COC1CC(C=O)(OC)CO1.
What is the InChIKey of 3,5-dimethoxyoxolane-3-carbaldehyde?
The InChIKey is AVFCIVAVZHKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-6-3-7(4-8,10-2)5-11-6/h4,6H,3,5H2,1-2H3.
What are the key properties of 3,5-dimethoxyoxolane-3-carbaldehyde?
3,5-dimethoxyoxolane-3-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 23294704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).