2-(2-methylprop-1-enoxymethyl)thiane

C10H18OS — CID 176605189

IUPAC2-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1CCCCS1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h7,10H,3-6,8H2,1-2H3
InChIKeyUFUUEBKDBBJGKJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds3

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

2-(2-methylprop-1-enoxymethyl)thiane (PubChem CID 176605189) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)thiane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)thiane
PubChem CID176605189
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1CCCCS1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h7,10H,3-6,8H2,1-2H3
InChIKeyUFUUEBKDBBJGKJ-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'}

Analyze 2-(2-methylprop-1-enoxymethyl)thiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methylprop-2-enylsulfanyl)oxane
CID 164745338
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603141
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
2-[3-(2-Methylprop-1-enoxy)propyl]thiane
CID 176603200
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiane (CID 176605189) is 2-(2-methylprop-1-enoxymethyl)thiane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)thiane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)thiane is CC(C)=COCC1CCCCS1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)thiane?
The InChIKey is UFUUEBKDBBJGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)thiane?
2-(2-methylprop-1-enoxymethyl)thiane 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-(2-methylprop-1-enoxymethyl)thiane is sourced from PubChem (CID 176605189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).