ethyl 10-methylsulfonyloxydecanoate

C13H26O5S — CID 118671452

IUPACethyl 10-methylsulfonyloxydecanoate
SMILESCCOC(=O)CCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C13H26O5S/c1-3-17-13(14)11-9-7-5-4-6-8-10-12-18-19(2,15)16/h3-12H2,1-2H3
InChIKeyCWLOMYYTYXMMMV-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.65
Rot. Bonds12

About ethyl 10-methylsulfonyloxydecanoate

ethyl 10-methylsulfonyloxydecanoate (PubChem CID 118671452) has the molecular formula C13H26O5S and a molecular weight of 294.41 g/mol. Its IUPAC name is ethyl 10-methylsulfonyloxydecanoate.

Molecular Properties

Compound Nameethyl 10-methylsulfonyloxydecanoate
PubChem CID118671452
Molecular FormulaC13H26O5S
Molecular Weight294.41 g/mol
Exact Mass294.15
IUPAC Nameethyl 10-methylsulfonyloxydecanoate
SMILESCCOC(=O)CCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C13H26O5S/c1-3-17-13(14)11-9-7-5-4-6-8-10-12-18-19(2,15)16/h3-12H2,1-2H3
InChIKeyCWLOMYYTYXMMMV-UHFFFAOYSA-N
XLogP2.65
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
ethyl 6-aminooxyhexanoate
CID 10559164
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 5-methoxypentanoate
CID 21476247
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
ethyl 6-bis(6-ethoxy-6-oxohexoxy)boranyloxyhexanoate
CID 135049216
ethyl 16-butoxyhexadecanoate
CID 56991029

Frequently Asked Questions

What is the IUPAC name of ethyl 10-methylsulfonyloxydecanoate?
The IUPAC name of ethyl 10-methylsulfonyloxydecanoate (CID 118671452) is ethyl 10-methylsulfonyloxydecanoate.
What is the SMILES notation for ethyl 10-methylsulfonyloxydecanoate?
The canonical SMILES for ethyl 10-methylsulfonyloxydecanoate is CCOC(=O)CCCCCCCCCOS(C)(=O)=O.
What is the InChIKey of ethyl 10-methylsulfonyloxydecanoate?
The InChIKey is CWLOMYYTYXMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5S/c1-3-17-13(14)11-9-7-5-4-6-8-10-12-18-19(2,15)16/h3-12H2,1-2H3.
What are the key properties of ethyl 10-methylsulfonyloxydecanoate?
ethyl 10-methylsulfonyloxydecanoate has a molecular weight of 294.41 g/mol, XLogP of 2.65, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-methylsulfonyloxydecanoate is sourced from PubChem (CID 118671452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).