2-(ethenoxymethyl)-2-ethylthiocane

C12H22OS — CID 176604279

IUPAC2-(ethenoxymethyl)-2-ethylthiocane
SMILESC=COCC1(CC)CCCCCCS1
InChIInChI=1S/C12H22OS/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3
InChIKeyMVKGAUFGVRQIEW-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.99
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethylthiocane

2-(ethenoxymethyl)-2-ethylthiocane (PubChem CID 176604279) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiocane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiocane
PubChem CID176604279
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-(ethenoxymethyl)-2-ethylthiocane
SMILESC=COCC1(CC)CCCCCCS1
InChIInChI=1S/C12H22OS/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3
InChIKeyMVKGAUFGVRQIEW-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.99
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-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiocane
CID 176603030
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
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-ethylthiocane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiocane (CID 176604279) is 2-(ethenoxymethyl)-2-ethylthiocane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiocane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiocane is C=COCC1(CC)CCCCCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiocane?
The InChIKey is MVKGAUFGVRQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiocane?
2-(ethenoxymethyl)-2-ethylthiocane has a molecular weight of 214.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiocane is sourced from PubChem (CID 176604279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).