2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide

C11H20O2S — CID 176603268

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
SMILESCC(C)=COCCCC1CCCS1=O
InChIInChI=1S/C11H20O2S/c1-10(2)9-13-7-3-5-11-6-4-8-14(11)12/h9,11H,3-8H2,1-2H3
InChIKeyMCXGVUCGKLSIFO-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.62
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide

2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide (PubChem CID 176603268) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
PubChem CID176603268
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
SMILESCC(C)=COCCCC1CCCS1=O
InChIInChI=1S/C11H20O2S/c1-10(2)9-13-7-3-5-11-6-4-8-14(11)12/h9,11H,3-8H2,1-2H3
InChIKeyMCXGVUCGKLSIFO-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.62
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

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
2-(2-Methylprop-1-enoxymethyl)thiepane 1-oxide
CID 176603381
2-(2-Methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603393
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603430
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane
CID 176603435
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide (CID 176603268) is 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide is CC(C)=COCCCC1CCCS1=O.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide?
The InChIKey is MCXGVUCGKLSIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-10(2)9-13-7-3-5-11-6-4-8-14(11)12/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide?
2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide is sourced from PubChem (CID 176603268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).