1,2-bis(ethylsulfonyl)-3,3-dimethylbutane

C10H22O4S2 — CID 2830963

IUPAC1,2-bis(ethylsulfonyl)-3,3-dimethylbutane
SMILESCCS(=O)(=O)CC(C(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C10H22O4S2/c1-6-15(11,12)8-9(10(3,4)5)16(13,14)7-2/h9H,6-8H2,1-5H3
InChIKeyDIYZADIVUHSIHI-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.27
Rot. Bonds5

About 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane

1,2-bis(ethylsulfonyl)-3,3-dimethylbutane (PubChem CID 2830963) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane.

Molecular Properties

Compound Name1,2-bis(ethylsulfonyl)-3,3-dimethylbutane
PubChem CID2830963
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1,2-bis(ethylsulfonyl)-3,3-dimethylbutane
SMILESCCS(=O)(=O)CC(C(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C10H22O4S2/c1-6-15(11,12)8-9(10(3,4)5)16(13,14)7-2/h9H,6-8H2,1-5H3
InChIKeyDIYZADIVUHSIHI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane?
The IUPAC name of 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane (CID 2830963) is 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane.
What is the SMILES notation for 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane?
The canonical SMILES for 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane is CCS(=O)(=O)CC(C(C)(C)C)S(=O)(=O)CC.
What is the InChIKey of 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane?
The InChIKey is DIYZADIVUHSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-6-15(11,12)8-9(10(3,4)5)16(13,14)7-2/h9H,6-8H2,1-5H3.
What are the key properties of 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane?
1,2-bis(ethylsulfonyl)-3,3-dimethylbutane has a molecular weight of 270.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethylsulfonyl)-3,3-dimethylbutane is sourced from PubChem (CID 2830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).