2-(2-ethylsulfanylethynoxy)-2-methylpropane

C8H14OS — CID 135083984

IUPAC2-(2-ethylsulfanylethynoxy)-2-methylpropane
SMILESCCSC#COC(C)(C)C
InChIInChI=1S/C8H14OS/c1-5-10-7-6-9-8(2,3)4/h5H2,1-4H3
InChIKeyZJQJHFBZYWYAAN-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.47
Rot. Bonds1

About 2-(2-ethylsulfanylethynoxy)-2-methylpropane

2-(2-ethylsulfanylethynoxy)-2-methylpropane (PubChem CID 135083984) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethynoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(2-ethylsulfanylethynoxy)-2-methylpropane
PubChem CID135083984
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(2-ethylsulfanylethynoxy)-2-methylpropane
SMILESCCSC#COC(C)(C)C
InChIInChI=1S/C8H14OS/c1-5-10-7-6-9-8(2,3)4/h5H2,1-4H3
InChIKeyZJQJHFBZYWYAAN-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethylsulfanylethynoxy)-2-methylpropane 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

2-Methyl-2-{[(propylsulfanyl)ethynyl]oxy}propane
CID 12714703
2-Methoxy-2-methyl-1-methylsulfanylpropane
CID 21613151
2-(Tert-butylsulfanylmethoxy)-2-methylpropane
CID 92006365
2-(Ethylsulfanylmethoxy)-2-methylbutane
CID 118028400
Ethyl-dimethyl-[(2-methylpropan-2-yl)oxy]-lambda4-sulfane
CID 123823293
2-Methoxy-2-methylpropane;2-methyl-2-methylsulfanylpropane
CID 160188506
2-(Ethylsulfanylmethoxy)-2-methylpropane
CID 101098324

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethynoxy)-2-methylpropane?
The IUPAC name of 2-(2-ethylsulfanylethynoxy)-2-methylpropane (CID 135083984) is 2-(2-ethylsulfanylethynoxy)-2-methylpropane.
What is the SMILES notation for 2-(2-ethylsulfanylethynoxy)-2-methylpropane?
The canonical SMILES for 2-(2-ethylsulfanylethynoxy)-2-methylpropane is CCSC#COC(C)(C)C.
What is the InChIKey of 2-(2-ethylsulfanylethynoxy)-2-methylpropane?
The InChIKey is ZJQJHFBZYWYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-5-10-7-6-9-8(2,3)4/h5H2,1-4H3.
What are the key properties of 2-(2-ethylsulfanylethynoxy)-2-methylpropane?
2-(2-ethylsulfanylethynoxy)-2-methylpropane has a molecular weight of 158.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethynoxy)-2-methylpropane is sourced from PubChem (CID 135083984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).