6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol

C12H26O2S — CID 106451165

IUPAC6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
SMILESCC(C)COCCOCCCCCCS
InChIInChI=1S/C12H26O2S/c1-12(2)11-14-9-8-13-7-5-3-4-6-10-15/h12,15H,3-11H2,1-2H3
InChIKeyXFPZZLRVKKBZEB-UHFFFAOYSA-N
MW234.40 g/mol
LogP3.17
Rot. Bonds11

About 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol

6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol (PubChem CID 106451165) has the molecular formula C12H26O2S and a molecular weight of 234.40 g/mol. Its IUPAC name is 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol.

Molecular Properties

Compound Name6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
PubChem CID106451165
Molecular FormulaC12H26O2S
Molecular Weight234.40 g/mol
Exact Mass234.17
IUPAC Name6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
SMILESCC(C)COCCOCCCCCCS
InChIInChI=1S/C12H26O2S/c1-12(2)11-14-9-8-13-7-5-3-4-6-10-15/h12,15H,3-11H2,1-2H3
InChIKeyXFPZZLRVKKBZEB-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
4-(2,2-difluoroethoxy)butane-1-thiol
CID 82010283
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol?
The IUPAC name of 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol (CID 106451165) is 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol.
What is the SMILES notation for 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol?
The canonical SMILES for 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol is CC(C)COCCOCCCCCCS.
What is the InChIKey of 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol?
The InChIKey is XFPZZLRVKKBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S/c1-12(2)11-14-9-8-13-7-5-3-4-6-10-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol?
6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol has a molecular weight of 234.40 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol is sourced from PubChem (CID 106451165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).