3-Ethylcyclopentan-1-ol;ethyl formate

C₁₀H₂₀O₃ — CID 157424984

About 3-Ethylcyclopentan-1-ol;ethyl formate

3-Ethylcyclopentan-1-ol;ethyl formate (PubChem CID 157424984) has the molecular formula C₁₀H₂₀O₃ and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethylcyclopentan-1-ol;ethyl formate.

Molecular Properties

• Compound Name: 3-Ethylcyclopentan-1-ol;ethyl formate
• PubChem CID: 157424984
• Molecular Formula: C₁₀H₂₀O₃
• Molecular Weight: 188.27 g/mol
• Exact Mass: 188.14
• IUPAC Name: 3-ethylcyclopentan-1-ol;ethyl formate
• SMILES: CCC1CCC(O)C1.CCOC=O
• InChI: InChI=1S/C7H14O.C3H6O2/c1-2-6-3-4-7(8)5-6;1-2-5-3-4/h6-8H,2-5H2,1H3;3H,2H2,1H3
• InChIKey: BPVXTBGURDYKRM-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.27
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-Ethylcyclopentan-1-ol;ethyl formate?

The IUPAC name of 3-Ethylcyclopentan-1-ol;ethyl formate (CID 157424984) is 3-ethylcyclopentan-1-ol;ethyl formate.

What is the SMILES notation for 3-Ethylcyclopentan-1-ol;ethyl formate?

The canonical SMILES for 3-Ethylcyclopentan-1-ol;ethyl formate is CCC1CCC(O)C1.CCOC=O.

What is the InChIKey of 3-Ethylcyclopentan-1-ol;ethyl formate?

The InChIKey is BPVXTBGURDYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6O2/c1-2-6-3-4-7(8)5-6;1-2-5-3-4/h6-8H,2-5H2,1H3;3H,2H2,1H3.

What are the key properties of 3-Ethylcyclopentan-1-ol;ethyl formate?

3-Ethylcyclopentan-1-ol;ethyl formate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Ethylcyclopentan-1-ol;ethyl formate is sourced from PubChem (CID 157424984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157424984 — identifiers, structure, computed properties (public domain)

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