2-(ethenoxymethyl)-2-ethylthiane

C10H18OS — CID 176603135

IUPAC2-(ethenoxymethyl)-2-ethylthiane
SMILESC=COCC1(CC)CCCCS1
InChIInChI=1S/C10H18OS/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3
InChIKeyCDXXIHLINIABDH-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethylthiane

2-(ethenoxymethyl)-2-ethylthiane (PubChem CID 176603135) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiane
PubChem CID176603135
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(ethenoxymethyl)-2-ethylthiane
SMILESC=COCC1(CC)CCCCS1
InChIInChI=1S/C10H18OS/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3
InChIKeyCDXXIHLINIABDH-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
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

2,4-Dimethyl-4-propyl-1,3-oxathiane
CID 69102662
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-(Ethenoxymethyl)-2-ethylthiepane
CID 176603142
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane
CID 176603358
2-(1-Ethenoxyethyl)thiane
CID 176603431
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethylthiane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiane (CID 176603135) is 2-(ethenoxymethyl)-2-ethylthiane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiane is C=COCC1(CC)CCCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiane?
The InChIKey is CDXXIHLINIABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiane?
2-(ethenoxymethyl)-2-ethylthiane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiane is sourced from PubChem (CID 176603135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).