5-(4-ethylphenyl)oxolane-2-carbaldehyde

C13H16O2 — CID 130584532

IUPAC5-(4-ethylphenyl)oxolane-2-carbaldehyde
SMILESCCc1ccc(C2CCC(C=O)O2)cc1
InChIInChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-8-7-12(9-14)15-13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyLKJGMOASAKSCKB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds3

About 5-(4-ethylphenyl)oxolane-2-carbaldehyde

5-(4-ethylphenyl)oxolane-2-carbaldehyde (PubChem CID 130584532) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(4-ethylphenyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethylphenyl)oxolane-2-carbaldehyde
PubChem CID130584532
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(4-ethylphenyl)oxolane-2-carbaldehyde
SMILESCCc1ccc(C2CCC(C=O)O2)cc1
InChIInChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-8-7-12(9-14)15-13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyLKJGMOASAKSCKB-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(4-ethylphenyl)oxolane-2-carbaldehyde (CID 130584532) is 5-(4-ethylphenyl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(4-ethylphenyl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(4-ethylphenyl)oxolane-2-carbaldehyde is CCc1ccc(C2CCC(C=O)O2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)oxolane-2-carbaldehyde?
The InChIKey is LKJGMOASAKSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-8-7-12(9-14)15-13/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 5-(4-ethylphenyl)oxolane-2-carbaldehyde?
5-(4-ethylphenyl)oxolane-2-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130584532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).