(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one

C₁₂H₁₆O₂ — CID 101145323

About (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one

(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (PubChem CID 101145323) has the molecular formula C₁₂H₁₆O₂ and a molecular weight of 192.26 g/mol. Its IUPAC name is (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.

Molecular Properties

• Compound Name: (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
• PubChem CID: 101145323
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26 g/mol
• Exact Mass: 192.12
• IUPAC Name: (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
• SMILES: C=C(C)[C@@H]1C=CC2(CCC(=O)O2)CC1
• InChI: InChI=1S/C12H16O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h3,6,10H,1,4-5,7-8H2,2H3/t10-,12?/m1/s1
• InChIKey: QFENUDYGYSCUFM-RWANSRKNSA-N
• XLogP: 2.60
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.26
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
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 (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?

The IUPAC name of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (CID 101145323) is (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.

What is the SMILES notation for (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?

The canonical SMILES for (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is C=C(C)[C@@H]1C=CC2(CCC(=O)O2)CC1.

What is the InChIKey of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?

The InChIKey is QFENUDYGYSCUFM-RWANSRKNSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h3,6,10H,1,4-5,7-8H2,2H3/t10-,12?/m1/s1.

What are the key properties of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?

(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is sourced from PubChem (CID 101145323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 101145323 — identifiers, structure, computed properties (public domain)

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