2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane

C11H20OS — CID 176604144

IUPAC2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COCCC1(C)CCCS1
InChIInChI=1S/C11H20OS/c1-10(2)9-12-7-6-11(3)5-4-8-13-11/h9H,4-8H2,1-3H3
InChIKeyCHCKHPRBDGHBEP-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds4

About 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane

2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane (PubChem CID 176604144) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
PubChem CID176604144
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
SMILESCC(C)=COCCC1(C)CCCS1
InChIInChI=1S/C11H20OS/c1-10(2)9-12-7-6-11(3)5-4-8-13-11/h9H,4-8H2,1-3H3
InChIKeyCHCKHPRBDGHBEP-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
CID 176603066
3-[2-(2-Methylprop-1-enoxy)ethyl]thiepane
CID 176603106
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiepane
CID 176603168
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane?
The IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane (CID 176604144) is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane?
The canonical SMILES for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane is CC(C)=COCCC1(C)CCCS1.
What is the InChIKey of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane?
The InChIKey is CHCKHPRBDGHBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(2)9-12-7-6-11(3)5-4-8-13-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane?
2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane is sourced from PubChem (CID 176604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).