1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane

C10H22O4S2 — CID 88519722

IUPAC1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane
SMILESCC(C)CCS(=O)(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O4S2/c1-9(2)6-7-15(11,12)16(13,14)8-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAWIFMHGZUDQQOQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds5

About 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane

1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane (PubChem CID 88519722) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane
PubChem CID88519722
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane
SMILESCC(C)CCS(=O)(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O4S2/c1-9(2)6-7-15(11,12)16(13,14)8-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAWIFMHGZUDQQOQ-UHFFFAOYSA-N
XLogP1.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane?
The IUPAC name of 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane (CID 88519722) is 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane is CC(C)CCS(=O)(=O)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane?
The InChIKey is AWIFMHGZUDQQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-9(2)6-7-15(11,12)16(13,14)8-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane?
1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane has a molecular weight of 270.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane is sourced from PubChem (CID 88519722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).