3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane

C10H18OS — CID 176605402

IUPAC3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane
SMILESCC(C)=COCCC1(C)CSC1
InChIInChI=1S/C10H18OS/c1-9(2)6-11-5-4-10(3)7-12-8-10/h6H,4-5,7-8H2,1-3H3
InChIKeyNLCBRTZMJSXOSH-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds4

About 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane

3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane (PubChem CID 176605402) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane
PubChem CID176605402
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane
SMILESCC(C)=COCCC1(C)CSC1
InChIInChI=1S/C10H18OS/c1-9(2)6-11-5-4-10(3)7-12-8-10/h6H,4-5,7-8H2,1-3H3
InChIKeyNLCBRTZMJSXOSH-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-3-allylthiomethyloxetane
CID 19376852
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176603642
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603942
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176603944
3-(Ethenoxymethyl)-3-ethylthietane
CID 176604120
3-[3-(2-Methylprop-1-enoxy)propyl]thietane
CID 176604248
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
CID 176604295
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thietane
CID 176604319
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane?
The IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane (CID 176605402) is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane.
What is the SMILES notation for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane?
The canonical SMILES for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane is CC(C)=COCCC1(C)CSC1.
What is the InChIKey of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane?
The InChIKey is NLCBRTZMJSXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)6-11-5-4-10(3)7-12-8-10/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane?
3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 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 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane is sourced from PubChem (CID 176605402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).