4-(2-methylprop-1-enoxymethyl)thiane

C10H18OS — CID 176602946

IUPAC4-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10-3-5-12-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyFVENWHDXFTWQDR-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-methylprop-1-enoxymethyl)thiane

4-(2-methylprop-1-enoxymethyl)thiane (PubChem CID 176602946) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-(2-methylprop-1-enoxymethyl)thiane.

Molecular Properties

Compound Name4-(2-methylprop-1-enoxymethyl)thiane
PubChem CID176602946
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-9(2)7-11-8-10-3-5-12-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyFVENWHDXFTWQDR-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

3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
3-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603022
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
4-(2-Methylprop-1-enoxymethyl)thiane 1-oxide
CID 176603252
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiane
CID 176603304

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enoxymethyl)thiane?
The IUPAC name of 4-(2-methylprop-1-enoxymethyl)thiane (CID 176602946) is 4-(2-methylprop-1-enoxymethyl)thiane.
What is the SMILES notation for 4-(2-methylprop-1-enoxymethyl)thiane?
The canonical SMILES for 4-(2-methylprop-1-enoxymethyl)thiane is CC(C)=COCC1CCSCC1.
What is the InChIKey of 4-(2-methylprop-1-enoxymethyl)thiane?
The InChIKey is FVENWHDXFTWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)7-11-8-10-3-5-12-6-4-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enoxymethyl)thiane?
4-(2-methylprop-1-enoxymethyl)thiane 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 4-(2-methylprop-1-enoxymethyl)thiane is sourced from PubChem (CID 176602946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).