4-(1-ethenoxyethyl)thiocane

C11H20OS — CID 176603791

IUPAC4-(1-ethenoxyethyl)thiocane
SMILESC=COC(C)C1CCCCSCC1
InChIInChI=1S/C11H20OS/c1-3-12-10(2)11-6-4-5-8-13-9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyOPDAIVIYZBIJMI-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.46
Rot. Bonds3

About 4-(1-ethenoxyethyl)thiocane

4-(1-ethenoxyethyl)thiocane (PubChem CID 176603791) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-(1-ethenoxyethyl)thiocane.

Molecular Properties

Compound Name4-(1-ethenoxyethyl)thiocane
PubChem CID176603791
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-(1-ethenoxyethyl)thiocane
SMILESC=COC(C)C1CCCCSCC1
InChIInChI=1S/C11H20OS/c1-3-12-10(2)11-6-4-5-8-13-9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyOPDAIVIYZBIJMI-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
4-[1-(2-Methylprop-1-enoxy)ethyl]thiocane
CID 176603829
2-(Ethenoxymethyl)-2-methylthiocane
CID 176603885
2-(3-Ethenoxypropyl)-2-ethylthiocane
CID 176603921
3-(1-Ethenoxyethyl)thiepane
CID 176604259
2-(Ethenoxymethyl)-2-ethylthiocane
CID 176604279
3-(2-Ethenoxyethyl)thiocane
CID 176604983
3-(1-Ethenoxyethyl)thiane
CID 176605136
4-(1-Ethenoxyethyl)thiocane 1-oxide
CID 176605417

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenoxyethyl)thiocane?
The IUPAC name of 4-(1-ethenoxyethyl)thiocane (CID 176603791) is 4-(1-ethenoxyethyl)thiocane.
What is the SMILES notation for 4-(1-ethenoxyethyl)thiocane?
The canonical SMILES for 4-(1-ethenoxyethyl)thiocane is C=COC(C)C1CCCCSCC1.
What is the InChIKey of 4-(1-ethenoxyethyl)thiocane?
The InChIKey is OPDAIVIYZBIJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-12-10(2)11-6-4-5-8-13-9-7-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-(1-ethenoxyethyl)thiocane?
4-(1-ethenoxyethyl)thiocane has a molecular weight of 200.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethenoxyethyl)thiocane is sourced from PubChem (CID 176603791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).