2-(ethenoxymethyl)-2-methylthiocane 1-oxide

C11H20O2S — CID 176603149

IUPAC2-(ethenoxymethyl)-2-methylthiocane 1-oxide
SMILESC=COCC1(C)CCCCCCS1=O
InChIInChI=1S/C11H20O2S/c1-3-13-10-11(2)8-6-4-5-7-9-14(11)12/h3H,1,4-10H2,2H3
InChIKeyHGXMSPVAHGOQCZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.62
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiocane 1-oxide

2-(ethenoxymethyl)-2-methylthiocane 1-oxide (PubChem CID 176603149) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiocane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiocane 1-oxide
PubChem CID176603149
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-(ethenoxymethyl)-2-methylthiocane 1-oxide
SMILESC=COCC1(C)CCCCCCS1=O
InChIInChI=1S/C11H20O2S/c1-3-13-10-11(2)8-6-4-5-7-9-14(11)12/h3H,1,4-10H2,2H3
InChIKeyHGXMSPVAHGOQCZ-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.62
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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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-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiocane 1-oxide
CID 176603128
2-(2-Ethenoxyethyl)-2-methylthiepane 1-oxide
CID 176603186
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603388
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiocane 1-oxide
CID 176603544
2-(3-Ethenoxypropyl)-2-ethylthiane 1-oxide
CID 176603581
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiocane 1,1-dioxide
CID 176603630
2-(3-Ethenoxypropyl)thiocane 1-oxide
CID 176603657

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane 1-oxide (CID 176603149) is 2-(ethenoxymethyl)-2-methylthiocane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiocane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiocane 1-oxide is C=COCC1(C)CCCCCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiocane 1-oxide?
The InChIKey is HGXMSPVAHGOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-3-13-10-11(2)8-6-4-5-7-9-14(11)12/h3H,1,4-10H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiocane 1-oxide?
2-(ethenoxymethyl)-2-methylthiocane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiocane 1-oxide is sourced from PubChem (CID 176603149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).