1-decylsulfonyldecane

C20H42O2S — CID 19089489

IUPAC1-decylsulfonyldecane
SMILESCCCCCCCCCCS(=O)(=O)CCCCCCCCCC
InChIInChI=1S/C20H42O2S/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyVXDCCDLGCOFZBL-UHFFFAOYSA-N
MW346.62 g/mol
LogP6.68
Rot. Bonds18

About 1-decylsulfonyldecane

1-decylsulfonyldecane (PubChem CID 19089489) has the molecular formula C20H42O2S and a molecular weight of 346.62 g/mol. Its IUPAC name is 1-decylsulfonyldecane.

Molecular Properties

Compound Name1-decylsulfonyldecane
PubChem CID19089489
Molecular FormulaC20H42O2S
Molecular Weight346.62 g/mol
Exact Mass346.29
IUPAC Name1-decylsulfonyldecane
SMILESCCCCCCCCCCS(=O)(=O)CCCCCCCCCC
InChIInChI=1S/C20H42O2S/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyVXDCCDLGCOFZBL-UHFFFAOYSA-N
XLogP6.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 56.68
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-decylsulfonyldecane?
The IUPAC name of 1-decylsulfonyldecane (CID 19089489) is 1-decylsulfonyldecane.
What is the SMILES notation for 1-decylsulfonyldecane?
The canonical SMILES for 1-decylsulfonyldecane is CCCCCCCCCCS(=O)(=O)CCCCCCCCCC.
What is the InChIKey of 1-decylsulfonyldecane?
The InChIKey is VXDCCDLGCOFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2S/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 1-decylsulfonyldecane?
1-decylsulfonyldecane has a molecular weight of 346.62 g/mol, XLogP of 6.68, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylsulfonyldecane is sourced from PubChem (CID 19089489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).