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

C10H18OS — CID 176603869

IUPAC3-[1-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COC(C)C1CCSC1
InChIInChI=1S/C10H18OS/c1-8(2)6-11-9(3)10-4-5-12-7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyXJKRZNCCWAIYBH-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds3

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

3-[1-(2-methylprop-1-enoxy)ethyl]thiolane (PubChem CID 176603869) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethyl]thiolane
PubChem CID176603869
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COC(C)C1CCSC1
InChIInChI=1S/C10H18OS/c1-8(2)6-11-9(3)10-4-5-12-7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyXJKRZNCCWAIYBH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603467
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603533
4-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603541
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176604088
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604101
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 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane (CID 176603869) is 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane is CC(C)=COC(C)C1CCSC1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
The InChIKey is XJKRZNCCWAIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)6-11-9(3)10-4-5-12-7-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethyl]thiolane?
3-[1-(2-methylprop-1-enoxy)ethyl]thiolane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 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 is sourced from PubChem (CID 176603869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).