8-Hydroxytheaspirane

C₁₃H₂₂O₂ — CID 71339001

About 8-Hydroxytheaspirane

8-Hydroxytheaspirane (PubChem CID 71339001) has the molecular formula C₁₃H₂₂O₂ and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.

Molecular Properties

• Compound Name: 8-Hydroxytheaspirane
• PubChem CID: 71339001
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.32 g/mol
• Exact Mass: 210.16
• IUPAC Name: 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
• SMILES: CC1=CC(O)CC(C)(C)C12CCC(C)O2
• InChI: InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
• InChIKey: AVMRWEITZUAUJV-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.32
LogP ≤ 5	2.66
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 8-Hydroxytheaspirane?

The IUPAC name of 8-Hydroxytheaspirane (CID 71339001) is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.

What is the SMILES notation for 8-Hydroxytheaspirane?

The canonical SMILES for 8-Hydroxytheaspirane is CC1=CC(O)CC(C)(C)C12CCC(C)O2.

What is the InChIKey of 8-Hydroxytheaspirane?

The InChIKey is AVMRWEITZUAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3.

What are the key properties of 8-Hydroxytheaspirane?

8-Hydroxytheaspirane has a molecular weight of 210.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-Hydroxytheaspirane is sourced from PubChem (CID 71339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71339001 — identifiers, structure, computed properties (public domain)

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