Carbonic acid;cyclooctene

C₉H₁₆O₃ — CID 161186055

About Carbonic acid;cyclooctene

Carbonic acid;cyclooctene (PubChem CID 161186055) has the molecular formula C₉H₁₆O₃ and a molecular weight of 172.22 g/mol. Its IUPAC name is carbonic acid;cyclooctene.

Molecular Properties

• Compound Name: Carbonic acid;cyclooctene
• PubChem CID: 161186055
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22 g/mol
• Exact Mass: 172.11
• IUPAC Name: carbonic acid;cyclooctene
• SMILES: C1=CCCCCCC1.O=C(O)O
• InChI: InChI=1S/C8H14.CH2O3/c1-2-4-6-8-7-5-3-1;2-1(3)4/h1-2H,3-8H2;(H2,2,3,4)
• InChIKey: UTBZVBREZCKHGW-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.22
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Carbonic acid;cyclooctene?

The IUPAC name of Carbonic acid;cyclooctene (CID 161186055) is carbonic acid;cyclooctene.

What is the SMILES notation for Carbonic acid;cyclooctene?

The canonical SMILES for Carbonic acid;cyclooctene is C1=CCCCCCC1.O=C(O)O.

What is the InChIKey of Carbonic acid;cyclooctene?

The InChIKey is UTBZVBREZCKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.CH2O3/c1-2-4-6-8-7-5-3-1;2-1(3)4/h1-2H,3-8H2;(H2,2,3,4).

What are the key properties of Carbonic acid;cyclooctene?

Carbonic acid;cyclooctene has a molecular weight of 172.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Carbonic acid;cyclooctene is sourced from PubChem (CID 161186055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161186055 — identifiers, structure, computed properties (public domain)

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