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

C10H11BrO2S — CID 130584913

IUPAC6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde
SMILESO=CC1CCCC(c2sccc2Br)O1
InChIInChI=1S/C10H11BrO2S/c11-8-4-5-14-10(8)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2
InChIKeyYFFGSMRLPBBBIN-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.32
Rot. Bonds2

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

6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde (PubChem CID 130584913) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde
PubChem CID130584913
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde
SMILESO=CC1CCCC(c2sccc2Br)O1
InChIInChI=1S/C10H11BrO2S/c11-8-4-5-14-10(8)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2
InChIKeyYFFGSMRLPBBBIN-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.32
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-(3-bromothiophen-2-yl)oxane-2-carbaldehyde?
The IUPAC name of 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde (CID 130584913) is 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde.
What is the SMILES notation for 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde?
The canonical SMILES for 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde is O=CC1CCCC(c2sccc2Br)O1.
What is the InChIKey of 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde?
The InChIKey is YFFGSMRLPBBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-8-4-5-14-10(8)9-3-1-2-7(6-12)13-9/h4-7,9H,1-3H2.
What are the key properties of 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde?
6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde has a molecular weight of 275.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde is sourced from PubChem (CID 130584913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).