3-hex-5-enoxythiolane 1,1-dioxide

C10H18O3S — CID 161017510

IUPAC3-hex-5-enoxythiolane 1,1-dioxide
SMILESC=CCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h2,10H,1,3-9H2
InChIKeyTXXODDMJAIQZHI-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.55
Rot. Bonds6

About 3-hex-5-enoxythiolane 1,1-dioxide

3-hex-5-enoxythiolane 1,1-dioxide (PubChem CID 161017510) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-hex-5-enoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-hex-5-enoxythiolane 1,1-dioxide
PubChem CID161017510
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-hex-5-enoxythiolane 1,1-dioxide
SMILESC=CCCCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h2,10H,1,3-9H2
InChIKeyTXXODDMJAIQZHI-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hex-5-enoxythiolane 1,1-dioxide?
The IUPAC name of 3-hex-5-enoxythiolane 1,1-dioxide (CID 161017510) is 3-hex-5-enoxythiolane 1,1-dioxide.
What is the SMILES notation for 3-hex-5-enoxythiolane 1,1-dioxide?
The canonical SMILES for 3-hex-5-enoxythiolane 1,1-dioxide is C=CCCCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 3-hex-5-enoxythiolane 1,1-dioxide?
The InChIKey is TXXODDMJAIQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h2,10H,1,3-9H2.
What are the key properties of 3-hex-5-enoxythiolane 1,1-dioxide?
3-hex-5-enoxythiolane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-enoxythiolane 1,1-dioxide is sourced from PubChem (CID 161017510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).