2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide

C11H20O3S — CID 176603919

IUPAC2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESC=COCC1(C)CCCCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-3-14-10-11(2)8-6-4-5-7-9-15(11,12)13/h3H,1,4-10H2,2H3
InChIKeyJRONVQPTCNEERQ-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.28
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide

2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide (PubChem CID 176603919) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide
PubChem CID176603919
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESC=COCC1(C)CCCCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-3-14-10-11(2)8-6-4-5-7-9-15(11,12)13/h3H,1,4-10H2,2H3
InChIKeyJRONVQPTCNEERQ-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiocane 1,1-dioxide
CID 176602991
2-(Ethenoxymethyl)-2-ethylthiocane 1-oxide
CID 176603011
2-(2-Ethenoxyethyl)-2-methylthiepane 1,1-dioxide
CID 176603019
2-(Ethenoxymethyl)thiocane 1-oxide
CID 176603086
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-(Ethenoxymethyl)-2-methylthiocane 1-oxide
CID 176603149
2-(2-Ethenoxyethyl)-2-methylthiepane 1-oxide
CID 176603186
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiocane 1,1-dioxide
CID 176603201
3-[2-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603320
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603388
2-(2-Methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603393
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiocane 1-oxide
CID 176603544

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide (CID 176603919) is 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide is C=COCC1(C)CCCCCCS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide?
The InChIKey is JRONVQPTCNEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-3-14-10-11(2)8-6-4-5-7-9-15(11,12)13/h3H,1,4-10H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide?
2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiocane 1,1-dioxide is sourced from PubChem (CID 176603919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).