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

C10H18OS — CID 176603467

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COC(C)C1CCCS1
InChIInChI=1S/C10H18OS/c1-8(2)7-11-9(3)10-5-4-6-12-10/h7,9-10H,4-6H2,1-3H3
InChIKeyXEUIJIWZJMXDHI-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-(2-methylprop-1-enoxy)ethyl]thiolane (PubChem CID 176603467) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]thiolane
PubChem CID176603467
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COC(C)C1CCCS1
InChIInChI=1S/C10H18OS/c1-8(2)7-11-9(3)10-5-4-6-12-10/h7,9-10H,4-6H2,1-3H3
InChIKeyXEUIJIWZJMXDHI-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
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-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane
CID 176603435
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603533
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603869
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604014
2-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176604028
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
CID 176604144
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176604158

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane (CID 176603467) is 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane is CC(C)=COC(C)C1CCCS1.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The InChIKey is XEUIJIWZJMXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)7-11-9(3)10-5-4-6-12-10/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
2-[1-(2-methylprop-1-enoxy)ethyl]thiolane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 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 is sourced from PubChem (CID 176603467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).