JVWYOEKYHIUDPT-UHFFFAOYSA-N

C₁₁H₂₀OS₂ — CID 589360

About JVWYOEKYHIUDPT-UHFFFAOYSA-N

JVWYOEKYHIUDPT-UHFFFAOYSA-N (PubChem CID 589360) has the molecular formula C₁₁H₂₀OS₂ and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.7]tridecan-7-ol.

Molecular Properties

• Compound Name: JVWYOEKYHIUDPT-UHFFFAOYSA-N
• PubChem CID: 589360
• Molecular Formula: C₁₁H₂₀OS₂
• Molecular Weight: 232.41 g/mol
• Exact Mass: 232.10
• IUPAC Name: 1,5-dithiaspiro[5.7]tridecan-7-ol
• SMILES: OC1CCCCCCC12SCCCS2
• InChI: InChI=1S/C11H20OS2/c12-10-6-3-1-2-4-7-11(10)13-8-5-9-14-11/h10,12H,1-9H2
• InChIKey: JVWYOEKYHIUDPT-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.41
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of JVWYOEKYHIUDPT-UHFFFAOYSA-N?

The IUPAC name of JVWYOEKYHIUDPT-UHFFFAOYSA-N (CID 589360) is 1,5-dithiaspiro[5.7]tridecan-7-ol.

What is the SMILES notation for JVWYOEKYHIUDPT-UHFFFAOYSA-N?

The canonical SMILES for JVWYOEKYHIUDPT-UHFFFAOYSA-N is OC1CCCCCCC12SCCCS2.

What is the InChIKey of JVWYOEKYHIUDPT-UHFFFAOYSA-N?

The InChIKey is JVWYOEKYHIUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c12-10-6-3-1-2-4-7-11(10)13-8-5-9-14-11/h10,12H,1-9H2.

What are the key properties of JVWYOEKYHIUDPT-UHFFFAOYSA-N?

JVWYOEKYHIUDPT-UHFFFAOYSA-N has a molecular weight of 232.41 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for JVWYOEKYHIUDPT-UHFFFAOYSA-N is sourced from PubChem (CID 589360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 589360 — identifiers, structure, computed properties (public domain)

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