2-oxoethoxysulfinyl decanoate

C12H22O5S — CID 174898903

IUPAC2-oxoethoxysulfinyl decanoate
SMILESCCCCCCCCCC(=O)OS(=O)OCC=O
InChIInChI=1S/C12H22O5S/c1-2-3-4-5-6-7-8-9-12(14)17-18(15)16-11-10-13/h10H,2-9,11H2,1H3
InChIKeyDMCSMRCILSNGJM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.46
Rot. Bonds12

About 2-oxoethoxysulfinyl decanoate

2-oxoethoxysulfinyl decanoate (PubChem CID 174898903) has the molecular formula C12H22O5S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-oxoethoxysulfinyl decanoate.

Molecular Properties

Compound Name2-oxoethoxysulfinyl decanoate
PubChem CID174898903
Molecular FormulaC12H22O5S
Molecular Weight278.37 g/mol
Exact Mass278.12
IUPAC Name2-oxoethoxysulfinyl decanoate
SMILESCCCCCCCCCC(=O)OS(=O)OCC=O
InChIInChI=1S/C12H22O5S/c1-2-3-4-5-6-7-8-9-12(14)17-18(15)16-11-10-13/h10H,2-9,11H2,1H3
InChIKeyDMCSMRCILSNGJM-UHFFFAOYSA-N
XLogP2.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

heptanoyloxysulfinyl heptanoate
CID 91311548
pentanoyloxysulfinyl pentanoate
CID 54331487
hexanoyl sulfite
CID 174493276
formyl heptanoate
CID 57242473
formyl docosanoate
CID 87130713
nonanoyl 9-oxononanoate
CID 134607254
ethenyl heptatriacontanoate
CID 139682782
ethenyl octacosanoate
CID 54439588
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774

Frequently Asked Questions

What is the IUPAC name of 2-oxoethoxysulfinyl decanoate?
The IUPAC name of 2-oxoethoxysulfinyl decanoate (CID 174898903) is 2-oxoethoxysulfinyl decanoate.
What is the SMILES notation for 2-oxoethoxysulfinyl decanoate?
The canonical SMILES for 2-oxoethoxysulfinyl decanoate is CCCCCCCCCC(=O)OS(=O)OCC=O.
What is the InChIKey of 2-oxoethoxysulfinyl decanoate?
The InChIKey is DMCSMRCILSNGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5S/c1-2-3-4-5-6-7-8-9-12(14)17-18(15)16-11-10-13/h10H,2-9,11H2,1H3.
What are the key properties of 2-oxoethoxysulfinyl decanoate?
2-oxoethoxysulfinyl decanoate has a molecular weight of 278.37 g/mol, XLogP of 2.46, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethoxysulfinyl decanoate is sourced from PubChem (CID 174898903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).