ZZNCEYKPPZFQEJ-UHFFFAOYSA-N

C₁₀H₁₈OS₂ — CID 589503

About ZZNCEYKPPZFQEJ-UHFFFAOYSA-N

ZZNCEYKPPZFQEJ-UHFFFAOYSA-N (PubChem CID 589503) has the molecular formula C₁₀H₁₈OS₂ and a molecular weight of 218.39 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.6]dodecan-7-ol.

Molecular Properties

• Compound Name: ZZNCEYKPPZFQEJ-UHFFFAOYSA-N
• PubChem CID: 589503
• Molecular Formula: C₁₀H₁₈OS₂
• Molecular Weight: 218.39 g/mol
• Exact Mass: 218.08
• IUPAC Name: 1,5-dithiaspiro[5.6]dodecan-7-ol
• SMILES: OC1CCCCCC12SCCCS2
• InChI: InChI=1S/C10H18OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h9,11H,1-8H2
• InChIKey: ZZNCEYKPPZFQEJ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.39
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of ZZNCEYKPPZFQEJ-UHFFFAOYSA-N (CID 589503) is 1,5-dithiaspiro[5.6]dodecan-7-ol.

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

The canonical SMILES for ZZNCEYKPPZFQEJ-UHFFFAOYSA-N is OC1CCCCCC12SCCCS2.

What is the InChIKey of ZZNCEYKPPZFQEJ-UHFFFAOYSA-N?

The InChIKey is ZZNCEYKPPZFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h9,11H,1-8H2.

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

ZZNCEYKPPZFQEJ-UHFFFAOYSA-N has a molecular weight of 218.39 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ZZNCEYKPPZFQEJ-UHFFFAOYSA-N is sourced from PubChem (CID 589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 589503 — identifiers, structure, computed properties (public domain)

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