4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane

C10H20Cl2O2S — CID 106734842

IUPAC4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
SMILESCC(CCl)(CCl)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20Cl2O2S/c1-9(2,3)15(13,14)6-5-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyOVAIDXHBOQCFDN-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.07
Rot. Bonds5

About 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane

4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane (PubChem CID 106734842) has the molecular formula C10H20Cl2O2S and a molecular weight of 275.24 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane.

Molecular Properties

Compound Name4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
PubChem CID106734842
Molecular FormulaC10H20Cl2O2S
Molecular Weight275.24 g/mol
Exact Mass274.06
IUPAC Name4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
SMILESCC(CCl)(CCl)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20Cl2O2S/c1-9(2,3)15(13,14)6-5-10(4,7-11)8-12/h5-8H2,1-4H3
InChIKeyOVAIDXHBOQCFDN-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780
3-(chloromethyl)-1-ethylsulfonyl-3-methylpentane
CID 66035858
1-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]-4-methylbenzene
CID 106734859
1-bromo-4-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 106734886
1-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]-2-chlorobenzene
CID 106734877
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
CID 106736034
1-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]-2-fluorobenzene
CID 106734883
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
5-tert-butylsulfonylpentan-1-ol
CID 14965524
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane?
The IUPAC name of 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane (CID 106734842) is 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane.
What is the SMILES notation for 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane?
The canonical SMILES for 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane is CC(CCl)(CCl)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane?
The InChIKey is OVAIDXHBOQCFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O2S/c1-9(2,3)15(13,14)6-5-10(4,7-11)8-12/h5-8H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane?
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane has a molecular weight of 275.24 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane is sourced from PubChem (CID 106734842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).