3-(2-ethenoxyethyl)thiocane

C11H20OS — CID 176604983

IUPAC3-(2-ethenoxyethyl)thiocane
SMILESC=COCCC1CCCCCSC1
InChIInChI=1S/C11H20OS/c1-2-12-8-7-11-6-4-3-5-9-13-10-11/h2,11H,1,3-10H2
InChIKeyGGPYAUNIQQQIKY-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.46
Rot. Bonds4

About 3-(2-ethenoxyethyl)thiocane

3-(2-ethenoxyethyl)thiocane (PubChem CID 176604983) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)thiocane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)thiocane
PubChem CID176604983
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(2-ethenoxyethyl)thiocane
SMILESC=COCCC1CCCCCSC1
InChIInChI=1S/C11H20OS/c1-2-12-8-7-11-6-4-3-5-9-13-10-11/h2,11H,1,3-10H2
InChIKeyGGPYAUNIQQQIKY-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
4-(1-Ethenoxyethyl)thiocane
CID 176603791
2-(Ethenoxymethyl)-2-methylthiocane
CID 176603885
2-(3-Ethenoxypropyl)-2-ethylthiocane
CID 176603921

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)thiocane?
The IUPAC name of 3-(2-ethenoxyethyl)thiocane (CID 176604983) is 3-(2-ethenoxyethyl)thiocane.
What is the SMILES notation for 3-(2-ethenoxyethyl)thiocane?
The canonical SMILES for 3-(2-ethenoxyethyl)thiocane is C=COCCC1CCCCCSC1.
What is the InChIKey of 3-(2-ethenoxyethyl)thiocane?
The InChIKey is GGPYAUNIQQQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-12-8-7-11-6-4-3-5-9-13-10-11/h2,11H,1,3-10H2.
What are the key properties of 3-(2-ethenoxyethyl)thiocane?
3-(2-ethenoxyethyl)thiocane has a molecular weight of 200.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)thiocane is sourced from PubChem (CID 176604983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).