4-(1-ethenoxyethyl)thiocane 1-oxide

C11H20O2S — CID 176605417

IUPAC4-(1-ethenoxyethyl)thiocane 1-oxide
SMILESC=COC(C)C1CCCCS(=O)CC1
InChIInChI=1S/C11H20O2S/c1-3-13-10(2)11-6-4-5-8-14(12)9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyJNRXFTGGQZCGJI-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.47
Rot. Bonds3

About 4-(1-ethenoxyethyl)thiocane 1-oxide

4-(1-ethenoxyethyl)thiocane 1-oxide (PubChem CID 176605417) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-(1-ethenoxyethyl)thiocane 1-oxide.

Molecular Properties

Compound Name4-(1-ethenoxyethyl)thiocane 1-oxide
PubChem CID176605417
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-(1-ethenoxyethyl)thiocane 1-oxide
SMILESC=COC(C)C1CCCCS(=O)CC1
InChIInChI=1S/C11H20O2S/c1-3-13-10(2)11-6-4-5-8-14(12)9-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyJNRXFTGGQZCGJI-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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-ethylthiocane 1-oxide
CID 176603011
2-(Ethenoxymethyl)-2-methylthiocane 1-oxide
CID 176603149
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
3-(1-Ethenoxyethyl)thiepane 1,1-dioxide
CID 176603737
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
4-[1-[(E)-prop-1-enoxy]ethyl]thiocane 1,1-dioxide
CID 176603871
4-[1-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603979
2-(Ethenoxymethyl)-2-ethylthiocane 1,1-dioxide
CID 176604009
3-(2-Ethenoxyethyl)thiocane 1,1-dioxide
CID 176604040

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenoxyethyl)thiocane 1-oxide?
The IUPAC name of 4-(1-ethenoxyethyl)thiocane 1-oxide (CID 176605417) is 4-(1-ethenoxyethyl)thiocane 1-oxide.
What is the SMILES notation for 4-(1-ethenoxyethyl)thiocane 1-oxide?
The canonical SMILES for 4-(1-ethenoxyethyl)thiocane 1-oxide is C=COC(C)C1CCCCS(=O)CC1.
What is the InChIKey of 4-(1-ethenoxyethyl)thiocane 1-oxide?
The InChIKey is JNRXFTGGQZCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-3-13-10(2)11-6-4-5-8-14(12)9-7-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-(1-ethenoxyethyl)thiocane 1-oxide?
4-(1-ethenoxyethyl)thiocane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 2.47, 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 1-oxide is sourced from PubChem (CID 176605417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).