3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide

C10H18O2S — CID 176603942

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
SMILESCCC1(COC=C(C)C)CS(=O)C1
InChIInChI=1S/C10H18O2S/c1-4-10(7-13(11)8-10)6-12-5-9(2)3/h5H,4,6-8H2,1-3H3
InChIKeyQVXQAIADNVOOGS-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds4

About 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide

3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide (PubChem CID 176603942) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
PubChem CID176603942
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
SMILESCCC1(COC=C(C)C)CS(=O)C1
InChIInChI=1S/C10H18O2S/c1-4-10(7-13(11)8-10)6-12-5-9(2)3/h5H,4,6-8H2,1-3H3
InChIKeyQVXQAIADNVOOGS-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.09
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-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
CID 176602917
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176602929
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-(2-Ethenoxyethyl)-3-methylthietane 1-oxide
CID 176603281
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603392
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603493
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603504
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603508
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1-oxide
CID 176603714
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603847

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide (CID 176603942) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide is CCC1(COC=C(C)C)CS(=O)C1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide?
The InChIKey is QVXQAIADNVOOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-4-10(7-13(11)8-10)6-12-5-9(2)3/h5H,4,6-8H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide?
3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide is sourced from PubChem (CID 176603942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).