1-(2-ethylsulfinylethylsulfinyl)dodecane

C16H34O2S2 — CID 53306224

IUPAC1-(2-ethylsulfinylethylsulfinyl)dodecane
SMILESCCCCCCCCCCCCS(=O)CCS(=O)CC
InChIInChI=1S/C16H34O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-20(18)16-15-19(17)4-2/h3-16H2,1-2H3
InChIKeyYKASBPGSOXRIOV-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.42
Rot. Bonds15

About 1-(2-ethylsulfinylethylsulfinyl)dodecane

1-(2-ethylsulfinylethylsulfinyl)dodecane (PubChem CID 53306224) has the molecular formula C16H34O2S2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethylsulfinyl)dodecane.

Molecular Properties

Compound Name1-(2-ethylsulfinylethylsulfinyl)dodecane
PubChem CID53306224
Molecular FormulaC16H34O2S2
Molecular Weight322.58 g/mol
Exact Mass322.20
IUPAC Name1-(2-ethylsulfinylethylsulfinyl)dodecane
SMILESCCCCCCCCCCCCS(=O)CCS(=O)CC
InChIInChI=1S/C16H34O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-20(18)16-15-19(17)4-2/h3-16H2,1-2H3
InChIKeyYKASBPGSOXRIOV-UHFFFAOYSA-N
XLogP4.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-ethylsulfinylethylsulfinyl)dodecane?
The IUPAC name of 1-(2-ethylsulfinylethylsulfinyl)dodecane (CID 53306224) is 1-(2-ethylsulfinylethylsulfinyl)dodecane.
What is the SMILES notation for 1-(2-ethylsulfinylethylsulfinyl)dodecane?
The canonical SMILES for 1-(2-ethylsulfinylethylsulfinyl)dodecane is CCCCCCCCCCCCS(=O)CCS(=O)CC.
What is the InChIKey of 1-(2-ethylsulfinylethylsulfinyl)dodecane?
The InChIKey is YKASBPGSOXRIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-20(18)16-15-19(17)4-2/h3-16H2,1-2H3.
What are the key properties of 1-(2-ethylsulfinylethylsulfinyl)dodecane?
1-(2-ethylsulfinylethylsulfinyl)dodecane has a molecular weight of 322.58 g/mol, XLogP of 4.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethylsulfinyl)dodecane is sourced from PubChem (CID 53306224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).