2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide

C12H22O2S — CID 176603004

IUPAC2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
SMILESCC(C)=COCCC1(C)CCCCS1=O
InChIInChI=1S/C12H22O2S/c1-11(2)10-14-8-7-12(3)6-4-5-9-15(12)13/h10H,4-9H2,1-3H3
InChIKeyPVWXGVRNMHXUQC-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.01
Rot. Bonds4

About 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide

2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide (PubChem CID 176603004) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
PubChem CID176603004
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
SMILESCC(C)=COCCC1(C)CCCCS1=O
InChIInChI=1S/C12H22O2S/c1-11(2)10-14-8-7-12(3)6-4-5-9-15(12)13/h10H,4-9H2,1-3H3
InChIKeyPVWXGVRNMHXUQC-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.01
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-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiepane 1-oxide
CID 176602985
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide?
The IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide (CID 176603004) is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide is CC(C)=COCCC1(C)CCCCS1=O.
What is the InChIKey of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide?
The InChIKey is PVWXGVRNMHXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c1-11(2)10-14-8-7-12(3)6-4-5-9-15(12)13/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide?
2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide has a molecular weight of 230.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176603004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).