1-ethenoxy-2-methyl-3-methylsulfanylpropane

C7H14OS — CID 131043020

IUPAC1-ethenoxy-2-methyl-3-methylsulfanylpropane
SMILESC=COCC(C)CSC
InChIInChI=1S/C7H14OS/c1-4-8-5-7(2)6-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyVDEWKVKDYAEGRE-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.15
Rot. Bonds5

About 1-ethenoxy-2-methyl-3-methylsulfanylpropane

1-ethenoxy-2-methyl-3-methylsulfanylpropane (PubChem CID 131043020) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-ethenoxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-ethenoxy-2-methyl-3-methylsulfanylpropane
PubChem CID131043020
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name1-ethenoxy-2-methyl-3-methylsulfanylpropane
SMILESC=COCC(C)CSC
InChIInChI=1S/C7H14OS/c1-4-8-5-7(2)6-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyVDEWKVKDYAEGRE-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-ethenoxy-2-methyl-3-methylsulfanylpropane (CID 131043020) is 1-ethenoxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-ethenoxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-ethenoxy-2-methyl-3-methylsulfanylpropane is C=COCC(C)CSC.
What is the InChIKey of 1-ethenoxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is VDEWKVKDYAEGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-8-5-7(2)6-9-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methyl-3-methylsulfanylpropane?
1-ethenoxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 146.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 131043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).