5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde

C14H12O3S2 — CID 50901715

IUPAC5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C3OCCO3)s2)s1
InChIInChI=1S/C14H12O3S2/c15-9-12-4-3-10(18-12)1-2-11-5-6-13(19-11)14-16-7-8-17-14/h1-6,9,14H,7-8H2/b2-1+
InChIKeySVWOFXFSHPUVAF-OWOJBTEDSA-N
MW292.38 g/mol
LogP3.84
Rot. Bonds4

About 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde

5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde (PubChem CID 50901715) has the molecular formula C14H12O3S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
PubChem CID50901715
Molecular FormulaC14H12O3S2
Molecular Weight292.38 g/mol
Exact Mass292.02
IUPAC Name5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C3OCCO3)s2)s1
InChIInChI=1S/C14H12O3S2/c15-9-12-4-3-10(18-12)1-2-11-5-6-13(19-11)14-16-7-8-17-14/h1-6,9,14H,7-8H2/b2-1+
InChIKeySVWOFXFSHPUVAF-OWOJBTEDSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde (CID 50901715) is 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde is O=Cc1ccc(/C=C/c2ccc(C3OCCO3)s2)s1.
What is the InChIKey of 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde?
The InChIKey is SVWOFXFSHPUVAF-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12O3S2/c15-9-12-4-3-10(18-12)1-2-11-5-6-13(19-11)14-16-7-8-17-14/h1-6,9,14H,7-8H2/b2-1+.
What are the key properties of 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde?
5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 50901715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).