3-methyl-3-(2-methylprop-1-enoxymethyl)thietane

C9H16OS — CID 176604408

IUPAC3-methyl-3-(2-methylprop-1-enoxymethyl)thietane
SMILESCC(C)=COCC1(C)CSC1
InChIInChI=1S/C9H16OS/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3
InChIKeyWIIRCHKSFFJHOZ-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.68
Rot. Bonds3

About 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane

3-methyl-3-(2-methylprop-1-enoxymethyl)thietane (PubChem CID 176604408) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enoxymethyl)thietane
PubChem CID176604408
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-methyl-3-(2-methylprop-1-enoxymethyl)thietane
SMILESCC(C)=COCC1(C)CSC1
InChIInChI=1S/C9H16OS/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3
InChIKeyWIIRCHKSFFJHOZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603392
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176603642
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176603944
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176604074
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane
CID 176604508
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane
CID 176604760
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176604878
3-(2-Methylprop-1-enoxymethyl)thietane
CID 176605012
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
CID 176605102
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane
CID 176605402

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane (CID 176604408) is 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane is CC(C)=COCC1(C)CSC1.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane?
The InChIKey is WIIRCHKSFFJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane?
3-methyl-3-(2-methylprop-1-enoxymethyl)thietane has a molecular weight of 172.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-1-enoxymethyl)thietane is sourced from PubChem (CID 176604408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).