1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane

C8H18O4S — CID 66221977

IUPAC1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
SMILESCOC(CS(=O)(=O)CC(C)C)OC
InChIInChI=1S/C8H18O4S/c1-7(2)5-13(9,10)6-8(11-3)12-4/h7-8H,5-6H2,1-4H3
InChIKeyZBPRYKRMKVQKTR-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.68
Rot. Bonds6

About 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane

1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane (PubChem CID 66221977) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
PubChem CID66221977
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
SMILESCOC(CS(=O)(=O)CC(C)C)OC
InChIInChI=1S/C8H18O4S/c1-7(2)5-13(9,10)6-8(11-3)12-4/h7-8H,5-6H2,1-4H3
InChIKeyZBPRYKRMKVQKTR-UHFFFAOYSA-N
XLogP0.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethylsulfonyl)-3-methylbutane
CID 107767944
2,2-dimethoxyethylsulfonylmethylbenzene
CID 66221543
1-bromo-3-methyl-2-(2-methylpropylsulfonylmethyl)butane
CID 65013076
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
CID 101000982
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
2-methylpropane-1-sulfonamide
CID 10197726
1-bromo-4-(2-methylpropylsulfonyl)butane
CID 43444502
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane?
The IUPAC name of 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane (CID 66221977) is 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane?
The canonical SMILES for 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane is COC(CS(=O)(=O)CC(C)C)OC.
What is the InChIKey of 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane?
The InChIKey is ZBPRYKRMKVQKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-7(2)5-13(9,10)6-8(11-3)12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane?
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane has a molecular weight of 210.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 66221977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).