2-(2-methylprop-1-enoxymethyl)thiolane

C9H16OS — CID 176605187

IUPAC2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCC(C)=COCC1CCCS1
InChIInChI=1S/C9H16OS/c1-8(2)6-10-7-9-4-3-5-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyQKNHZBIYVFIJMB-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-methylprop-1-enoxymethyl)thiolane

2-(2-methylprop-1-enoxymethyl)thiolane (PubChem CID 176605187) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)thiolane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)thiolane
PubChem CID176605187
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCC(C)=COCC1CCCS1
InChIInChI=1S/C9H16OS/c1-8(2)6-10-7-9-4-3-5-11-9/h6,9H,3-5,7H2,1-2H3
InChIKeyQKNHZBIYVFIJMB-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
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

3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane
CID 176603285
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane
CID 176603435
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
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603869

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiolane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiolane (CID 176605187) is 2-(2-methylprop-1-enoxymethyl)thiolane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)thiolane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)thiolane is CC(C)=COCC1CCCS1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)thiolane?
The InChIKey is QKNHZBIYVFIJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(2)6-10-7-9-4-3-5-11-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)thiolane?
2-(2-methylprop-1-enoxymethyl)thiolane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)thiolane is sourced from PubChem (CID 176605187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).