1-(2-methylthiolan-2-yl)pent-4-en-1-ol

C₁₀H₁₈OS — CID 105102325

About 1-(2-methylthiolan-2-yl)pent-4-en-1-ol

1-(2-methylthiolan-2-yl)pent-4-en-1-ol (PubChem CID 105102325) has the molecular formula C₁₀H₁₈OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)pent-4-en-1-ol.

Molecular Properties

• Compound Name: 1-(2-methylthiolan-2-yl)pent-4-en-1-ol
• PubChem CID: 105102325
• Molecular Formula: C₁₀H₁₈OS
• Molecular Weight: 186.32 g/mol
• Exact Mass: 186.11
• IUPAC Name: 1-(2-methylthiolan-2-yl)pent-4-en-1-ol
• SMILES: C=CCCC(O)C1(C)CCCS1
• InChI: InChI=1S/C10H18OS/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3,9,11H,1,4-8H2,2H3
• InChIKey: MAXAIHWICUJQIS-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.32
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)pent-4-en-1-ol?

The IUPAC name of 1-(2-methylthiolan-2-yl)pent-4-en-1-ol (CID 105102325) is 1-(2-methylthiolan-2-yl)pent-4-en-1-ol.

What is the SMILES notation for 1-(2-methylthiolan-2-yl)pent-4-en-1-ol?

The canonical SMILES for 1-(2-methylthiolan-2-yl)pent-4-en-1-ol is C=CCCC(O)C1(C)CCCS1.

What is the InChIKey of 1-(2-methylthiolan-2-yl)pent-4-en-1-ol?

The InChIKey is MAXAIHWICUJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3,9,11H,1,4-8H2,2H3.

What are the key properties of 1-(2-methylthiolan-2-yl)pent-4-en-1-ol?

1-(2-methylthiolan-2-yl)pent-4-en-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylthiolan-2-yl)pent-4-en-1-ol is sourced from PubChem (CID 105102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105102325 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.