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

C11H20OS — CID 176603813

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1(C)CCCCS1
InChIInChI=1S/C11H20OS/c1-10(2)8-12-9-11(3)6-4-5-7-13-11/h8H,4-7,9H2,1-3H3
InChIKeyBYKDEKSUIVDVNI-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

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

2-methyl-2-(2-methylprop-1-enoxymethyl)thiane (PubChem CID 176603813) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiane
PubChem CID176603813
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiane
SMILESCC(C)=COCC1(C)CCCCS1
InChIInChI=1S/C11H20OS/c1-10(2)8-12-9-11(3)6-4-5-7-13-11/h8H,4-7,9H2,1-3H3
InChIKeyBYKDEKSUIVDVNI-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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-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
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
3-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603022
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
CID 176603066
2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603141
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiepane
CID 176603168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane (CID 176603813) is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane is CC(C)=COCC1(C)CCCCS1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane?
The InChIKey is BYKDEKSUIVDVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(2)8-12-9-11(3)6-4-5-7-13-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiane?
2-methyl-2-(2-methylprop-1-enoxymethyl)thiane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 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)thiane is sourced from PubChem (CID 176603813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).