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

C10H18O2S — CID 176603469

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
SMILESCC(C)=COC(C)C1CCCS1=O
InChIInChI=1S/C10H18O2S/c1-8(2)7-12-9(3)10-5-4-6-13(10)11/h7,9-10H,4-6H2,1-3H3
InChIKeyULLBECMTHDCQGM-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.23
Rot. Bonds3

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

2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide (PubChem CID 176603469) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
PubChem CID176603469
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
SMILESCC(C)=COC(C)C1CCCS1=O
InChIInChI=1S/C10H18O2S/c1-8(2)7-12-9(3)10-5-4-6-13(10)11/h7,9-10H,4-6H2,1-3H3
InChIKeyULLBECMTHDCQGM-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603268
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603467
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
3-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603660
2-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176603901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide (CID 176603469) is 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide is CC(C)=COC(C)C1CCCS1=O.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
The InChIKey is ULLBECMTHDCQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8(2)7-12-9(3)10-5-4-6-13(10)11/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide?
2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).