3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide

C10H18O2S — CID 176604488

IUPAC3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
SMILESCC(C)=COC(C)C1CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-8(2)6-12-9(3)10-4-5-13(11)7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyJEKFQPIQMXEXLL-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.08
Rot. Bonds3

About 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide

3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide (PubChem CID 176604488) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
PubChem CID176604488
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
SMILESCC(C)=COC(C)C1CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-8(2)6-12-9(3)10-4-5-13(11)7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyJEKFQPIQMXEXLL-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.08
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

2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
4-(2-Methylprop-1-enoxymethyl)thiane 1-oxide
CID 176603252
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603357
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603445
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603504
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603533

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide (CID 176604488) is 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide is CC(C)=COC(C)C1CCS(=O)C1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The InChIKey is JEKFQPIQMXEXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8(2)6-12-9(3)10-4-5-13(11)7-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide is sourced from PubChem (CID 176604488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).