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

C10H18OS — CID 176604158

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCC(C)=COCC1(C)CCCS1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h7H,4-6,8H2,1-3H3
InChIKeyFISONEBQRCPFIV-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds3

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

2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane (PubChem CID 176604158) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane
PubChem CID176604158
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane
SMILESCC(C)=COCC1(C)CCCS1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h7H,4-6,8H2,1-3H3
InChIKeyFISONEBQRCPFIV-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-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiane
CID 176603304
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
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane
CID 176603813
3-(2-Methylprop-1-enoxymethyl)thiane
CID 176603834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane (CID 176604158) is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane is CC(C)=COCC1(C)CCCS1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane?
The InChIKey is FISONEBQRCPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiolane?
2-methyl-2-(2-methylprop-1-enoxymethyl)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-methyl-2-(2-methylprop-1-enoxymethyl)thiolane is sourced from PubChem (CID 176604158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).