6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde

C10H11ClO2S — CID 131113761

IUPAC6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde
SMILESO=CC1CCCC(c2ccsc2Cl)O1
InChIInChI=1S/C10H11ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2
InChIKeyJLXNKCSBABQNTE-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.21
Rot. Bonds2

About 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde

6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde (PubChem CID 131113761) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde.

Molecular Properties

Compound Name6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde
PubChem CID131113761
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde
SMILESO=CC1CCCC(c2ccsc2Cl)O1
InChIInChI=1S/C10H11ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2
InChIKeyJLXNKCSBABQNTE-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.21
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 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde?
The IUPAC name of 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde (CID 131113761) is 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde.
What is the SMILES notation for 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde?
The canonical SMILES for 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde is O=CC1CCCC(c2ccsc2Cl)O1.
What is the InChIKey of 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde?
The InChIKey is JLXNKCSBABQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2.
What are the key properties of 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde?
6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde has a molecular weight of 230.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde is sourced from PubChem (CID 131113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).