1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane

C11H24OS2 — CID 155631207

IUPAC1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane
SMILESCC(C)OC(SSC(C)(C)C)C(C)C
InChIInChI=1S/C11H24OS2/c1-8(2)10(12-9(3)4)13-14-11(5,6)7/h8-10H,1-7H3
InChIKeyKCXLNZPAIJHILK-UHFFFAOYSA-N
MW236.45 g/mol
LogP4.57
Rot. Bonds5

About 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane

1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane (PubChem CID 155631207) has the molecular formula C11H24OS2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane.

Molecular Properties

Compound Name1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane
PubChem CID155631207
Molecular FormulaC11H24OS2
Molecular Weight236.45 g/mol
Exact Mass236.13
IUPAC Name1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane
SMILESCC(C)OC(SSC(C)(C)C)C(C)C
InChIInChI=1S/C11H24OS2/c1-8(2)10(12-9(3)4)13-14-11(5,6)7/h8-10H,1-7H3
InChIKeyKCXLNZPAIJHILK-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
2-(tert-butyldisulfanyl)-3-methylpentane
CID 170145664
1-(methyldisulfanyl)-1-propan-2-yloxypropan-2-ol
CID 169266889
2-(tert-butyldisulfanyl)-1,1,1-trichloro-3-methylpentane
CID 155048538
3-(tert-butyldisulfanyl)-1,1-dichlorobutane
CID 169030356
6-(tert-butyldisulfanyl)-2-methyl-3-methylideneheptane
CID 175618312
methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
CID 174359960
(3R)-2-methyl-3-propan-2-yloxybutane
CID 40522025
methanol;propan-2-ol;2-propan-2-yloxypropane
CID 88645420
azane;methanol;2-propan-2-yloxypropane;hydrate
CID 173089924
1-(tert-butyldisulfanyl)-2,2,2-trifluoroethanethiol
CID 166830926
3-methyl-2-propan-2-yloxybutane-1,1,3-triol
CID 118298782

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane?
The IUPAC name of 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane (CID 155631207) is 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane.
What is the SMILES notation for 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane?
The canonical SMILES for 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane is CC(C)OC(SSC(C)(C)C)C(C)C.
What is the InChIKey of 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane?
The InChIKey is KCXLNZPAIJHILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS2/c1-8(2)10(12-9(3)4)13-14-11(5,6)7/h8-10H,1-7H3.
What are the key properties of 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane?
1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane has a molecular weight of 236.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyldisulfanyl)-2-methyl-1-propan-2-yloxypropane is sourced from PubChem (CID 155631207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).