2-prop-1-enoxythiolane 1,1-dioxide

C7H12O3S — CID 68960631

IUPAC2-prop-1-enoxythiolane 1,1-dioxide
SMILESCC=COC1CCCS1(=O)=O
InChIInChI=1S/C7H12O3S/c1-2-5-10-7-4-3-6-11(7,8)9/h2,5,7H,3-4,6H2,1H3
InChIKeyOYEDDBMJUWANFN-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.07
Rot. Bonds2

About 2-prop-1-enoxythiolane 1,1-dioxide

2-prop-1-enoxythiolane 1,1-dioxide (PubChem CID 68960631) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-prop-1-enoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name2-prop-1-enoxythiolane 1,1-dioxide
PubChem CID68960631
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-prop-1-enoxythiolane 1,1-dioxide
SMILESCC=COC1CCCS1(=O)=O
InChIInChI=1S/C7H12O3S/c1-2-5-10-7-4-3-6-11(7,8)9/h2,5,7H,3-4,6H2,1H3
InChIKeyOYEDDBMJUWANFN-UHFFFAOYSA-N
XLogP1.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enoxythiolane 1,1-dioxide?
The IUPAC name of 2-prop-1-enoxythiolane 1,1-dioxide (CID 68960631) is 2-prop-1-enoxythiolane 1,1-dioxide.
What is the SMILES notation for 2-prop-1-enoxythiolane 1,1-dioxide?
The canonical SMILES for 2-prop-1-enoxythiolane 1,1-dioxide is CC=COC1CCCS1(=O)=O.
What is the InChIKey of 2-prop-1-enoxythiolane 1,1-dioxide?
The InChIKey is OYEDDBMJUWANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-2-5-10-7-4-3-6-11(7,8)9/h2,5,7H,3-4,6H2,1H3.
What are the key properties of 2-prop-1-enoxythiolane 1,1-dioxide?
2-prop-1-enoxythiolane 1,1-dioxide has a molecular weight of 176.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enoxythiolane 1,1-dioxide is sourced from PubChem (CID 68960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).