1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane

C10H22OS — CID 88857717

IUPAC1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane
SMILESCOC(SC(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)8(11-7)12-10(4,5)6/h8H,1-7H3
InChIKeyNXEBSZURCAWKKY-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.54
Rot. Bonds2

About 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane

1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane (PubChem CID 88857717) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane
PubChem CID88857717
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane
SMILESCOC(SC(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)8(11-7)12-10(4,5)6/h8H,1-7H3
InChIKeyNXEBSZURCAWKKY-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane?
The IUPAC name of 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane (CID 88857717) is 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane?
The canonical SMILES for 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane is COC(SC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane?
The InChIKey is NXEBSZURCAWKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2,3)8(11-7)12-10(4,5)6/h8H,1-7H3.
What are the key properties of 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane?
1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane has a molecular weight of 190.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 88857717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).