2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane

C11H20OS — CID 176603475

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCCC1(COC=C(C)C)CCCS1
InChIInChI=1S/C11H20OS/c1-4-11(6-5-7-13-11)9-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyFCMPLWOOLDUVFJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane

2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane (PubChem CID 176603475) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
PubChem CID176603475
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCCC1(COC=C(C)C)CCCS1
InChIInChI=1S/C11H20OS/c1-4-11(6-5-7-13-11)9-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyFCMPLWOOLDUVFJ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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

3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
CID 176603066
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603430

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane (CID 176603475) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane is CCC1(COC=C(C)C)CCCS1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The InChIKey is FCMPLWOOLDUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-11(6-5-7-13-11)9-12-8-10(2)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiolane is sourced from PubChem (CID 176603475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).