2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde

C11H14O2S — CID 82394832

IUPAC2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde
SMILESCc1sc(C2CCCOC2)cc1C=O
InChIInChI=1S/C11H14O2S/c1-8-10(6-12)5-11(14-8)9-3-2-4-13-7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyIXAAZWFLLXRSNE-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.76
Rot. Bonds2

About 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde

2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde (PubChem CID 82394832) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde
PubChem CID82394832
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde
SMILESCc1sc(C2CCCOC2)cc1C=O
InChIInChI=1S/C11H14O2S/c1-8-10(6-12)5-11(14-8)9-3-2-4-13-7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyIXAAZWFLLXRSNE-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.76
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 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde?
The IUPAC name of 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde (CID 82394832) is 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde is Cc1sc(C2CCCOC2)cc1C=O.
What is the InChIKey of 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde?
The InChIKey is IXAAZWFLLXRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-10(6-12)5-11(14-8)9-3-2-4-13-7-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde?
2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-3-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82394832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).