2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane

C11H20OS — CID 176603066

IUPAC2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
SMILESCCC1(CCCOC=C(C)C)CS1
InChIInChI=1S/C11H20OS/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyBYWKUQIZOVQOFE-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds6

About 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane

2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane (PubChem CID 176603066) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
PubChem CID176603066
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
SMILESCCC1(CCCOC=C(C)C)CS1
InChIInChI=1S/C11H20OS/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3
InChIKeyBYWKUQIZOVQOFE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane 1,1-dioxide
CID 176603163
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane
CID 176603285
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
4-[3-(2-Methylprop-1-enoxy)propyl]thiane
CID 176603750
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane
CID 176603813
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
CID 176604144
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thietane
CID 176604319
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiane
CID 176604391

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane (CID 176603066) is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane is CCC1(CCCOC=C(C)C)CS1.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane?
The InChIKey is BYWKUQIZOVQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-11(9-13-11)6-5-7-12-8-10(2)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane?
2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane is sourced from PubChem (CID 176603066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).