methyl 10-thiophen-2-yldecanoate

C15H24O2S — CID 10754406

IUPACmethyl 10-thiophen-2-yldecanoate
SMILESCOC(=O)CCCCCCCCCc1cccs1
InChIInChI=1S/C15H24O2S/c1-17-15(16)12-8-6-4-2-3-5-7-10-14-11-9-13-18-14/h9,11,13H,2-8,10,12H2,1H3
InChIKeyIJGGOEFAIGYBEG-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.58
Rot. Bonds10

About methyl 10-thiophen-2-yldecanoate

methyl 10-thiophen-2-yldecanoate (PubChem CID 10754406) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is methyl 10-thiophen-2-yldecanoate.

Molecular Properties

Compound Namemethyl 10-thiophen-2-yldecanoate
PubChem CID10754406
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Namemethyl 10-thiophen-2-yldecanoate
SMILESCOC(=O)CCCCCCCCCc1cccs1
InChIInChI=1S/C15H24O2S/c1-17-15(16)12-8-6-4-2-3-5-7-10-14-11-9-13-18-14/h9,11,13H,2-8,10,12H2,1H3
InChIKeyIJGGOEFAIGYBEG-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 10-thiophen-2-yldecanoate?
The IUPAC name of methyl 10-thiophen-2-yldecanoate (CID 10754406) is methyl 10-thiophen-2-yldecanoate.
What is the SMILES notation for methyl 10-thiophen-2-yldecanoate?
The canonical SMILES for methyl 10-thiophen-2-yldecanoate is COC(=O)CCCCCCCCCc1cccs1.
What is the InChIKey of methyl 10-thiophen-2-yldecanoate?
The InChIKey is IJGGOEFAIGYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-17-15(16)12-8-6-4-2-3-5-7-10-14-11-9-13-18-14/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of methyl 10-thiophen-2-yldecanoate?
methyl 10-thiophen-2-yldecanoate has a molecular weight of 268.42 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-thiophen-2-yldecanoate is sourced from PubChem (CID 10754406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).