1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane

C10H22OS — CID 118245617

IUPAC1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane
SMILESCCSCCCOCC(C)(C)C
InChIInChI=1S/C10H22OS/c1-5-12-8-6-7-11-9-10(2,3)4/h5-9H2,1-4H3
InChIKeyIZEMVGRZPMESBX-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.19
Rot. Bonds6

About 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane

1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane (PubChem CID 118245617) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane
PubChem CID118245617
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane
SMILESCCSCCCOCC(C)(C)C
InChIInChI=1S/C10H22OS/c1-5-12-8-6-7-11-9-10(2,3)4/h5-9H2,1-4H3
InChIKeyIZEMVGRZPMESBX-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane?
The IUPAC name of 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane (CID 118245617) is 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane?
The canonical SMILES for 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane is CCSCCCOCC(C)(C)C.
What is the InChIKey of 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane?
The InChIKey is IZEMVGRZPMESBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-5-12-8-6-7-11-9-10(2,3)4/h5-9H2,1-4H3.
What are the key properties of 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane?
1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane has a molecular weight of 190.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropoxy)-2,2-dimethylpropane is sourced from PubChem (CID 118245617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).