4-(ethenoxymethyl)-4-ethylthiane

C10H18OS — CID 176603389

IUPAC4-(ethenoxymethyl)-4-ethylthiane
SMILESC=COCC1(CC)CCSCC1
InChIInChI=1S/C10H18OS/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyQQPOVAMXJHBQPC-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds4

About 4-(ethenoxymethyl)-4-ethylthiane

4-(ethenoxymethyl)-4-ethylthiane (PubChem CID 176603389) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-ethylthiane.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-ethylthiane
PubChem CID176603389
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-(ethenoxymethyl)-4-ethylthiane
SMILESC=COCC1(CC)CCSCC1
InChIInChI=1S/C10H18OS/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyQQPOVAMXJHBQPC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

5,5-Diethyl-2-propan-2-yl-1,3-oxathiane
CID 21417749
4-Ethyl-4-(ethylsulfanylmethyl)oxane
CID 156522247
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
4-(Ethenoxymethyl)thiane
CID 176603153
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
4-(Ethenoxymethyl)-4-methylthiane 1-oxide
CID 176603579
4-(Ethenoxymethyl)-4-ethylthiane 1-oxide
CID 176603590
4-(3-Ethenoxypropyl)-4-ethylthiane
CID 176603754
4-(Ethenoxymethyl)-4-methylthiane
CID 176603770
4-methyl-4-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603809
4-(2-Ethenoxyethyl)-4-methylthiane 1-oxide
CID 176603860

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-4-ethylthiane?
The IUPAC name of 4-(ethenoxymethyl)-4-ethylthiane (CID 176603389) is 4-(ethenoxymethyl)-4-ethylthiane.
What is the SMILES notation for 4-(ethenoxymethyl)-4-ethylthiane?
The canonical SMILES for 4-(ethenoxymethyl)-4-ethylthiane is C=COCC1(CC)CCSCC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-ethylthiane?
The InChIKey is QQPOVAMXJHBQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 4-(ethenoxymethyl)-4-ethylthiane?
4-(ethenoxymethyl)-4-ethylthiane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-4-ethylthiane is sourced from PubChem (CID 176603389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).