2-(ethenoxymethyl)-2-methylthiocane

C11H20OS — CID 176603885

IUPAC2-(ethenoxymethyl)-2-methylthiocane
SMILESC=COCC1(C)CCCCCCS1
InChIInChI=1S/C11H20OS/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3
InChIKeyZJUYWZVYDGSYQV-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiocane

2-(ethenoxymethyl)-2-methylthiocane (PubChem CID 176603885) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiocane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiocane
PubChem CID176603885
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(ethenoxymethyl)-2-methylthiocane
SMILESC=COCC1(C)CCCCCCS1
InChIInChI=1S/C11H20OS/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3
InChIKeyZJUYWZVYDGSYQV-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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

4-(2-Methylpropyl)-1,3-oxathiocane
CID 123597620
2-(Ethenoxymethyl)-2-ethylthiocane 1-oxide
CID 176603011
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiocane
CID 176603030
2-(Ethenoxymethyl)-2-ethylthiepane
CID 176603142
2-(Ethenoxymethyl)-2-methylthiocane 1-oxide
CID 176603149
2-(3-Ethenoxypropyl)thiocane
CID 176603230
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiocane
CID 176603401
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiocane
CID 176603412
2-(2-Ethenoxyethyl)-2-methylthiepane
CID 176603524
2-(3-Ethenoxypropyl)-2-ethylthiocane 1-oxide
CID 176603771
2-(3-Ethenoxypropyl)-2-ethylthiocane 1,1-dioxide
CID 176603774
4-(1-Ethenoxyethyl)thiocane
CID 176603791

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiocane (CID 176603885) is 2-(ethenoxymethyl)-2-methylthiocane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiocane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiocane is C=COCC1(C)CCCCCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiocane?
The InChIKey is ZJUYWZVYDGSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiocane?
2-(ethenoxymethyl)-2-methylthiocane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 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 is sourced from PubChem (CID 176603885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).