Cyclopentyl phenyl sulfite

C₁₁H₁₄O₃S — CID 150136179

About Cyclopentyl phenyl sulfite

Cyclopentyl phenyl sulfite (PubChem CID 150136179) has the molecular formula C₁₁H₁₄O₃S and a molecular weight of 226.30 g/mol. Its IUPAC name is cyclopentyl phenyl sulfite.

Molecular Properties

• Compound Name: Cyclopentyl phenyl sulfite
• PubChem CID: 150136179
• Molecular Formula: C₁₁H₁₄O₃S
• Molecular Weight: 226.30 g/mol
• Exact Mass: 226.07
• IUPAC Name: cyclopentyl phenyl sulfite
• SMILES: O=S(Oc1ccccc1)OC1CCCC1
• InChI: InChI=1S/C11H14O3S/c12-15(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
• InChIKey: FCHFULGDBLUGAG-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.30
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Cyclopentyl phenyl sulfite?

The IUPAC name of Cyclopentyl phenyl sulfite (CID 150136179) is cyclopentyl phenyl sulfite.

What is the SMILES notation for Cyclopentyl phenyl sulfite?

The canonical SMILES for Cyclopentyl phenyl sulfite is O=S(Oc1ccccc1)OC1CCCC1.

What is the InChIKey of Cyclopentyl phenyl sulfite?

The InChIKey is FCHFULGDBLUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-15(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2.

What are the key properties of Cyclopentyl phenyl sulfite?

Cyclopentyl phenyl sulfite has a molecular weight of 226.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopentyl phenyl sulfite is sourced from PubChem (CID 150136179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150136179 — identifiers, structure, computed properties (public domain)

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