2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane

C₁₉H₃₁NO — CID 156842978

About 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane

2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 156842978) has the molecular formula C₁₉H₃₁NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 156842978
• Molecular Formula: C₁₉H₃₁NO
• Molecular Weight: 289.46 g/mol
• Exact Mass: 289.24
• IUPAC Name: 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
• SMILES: C=C(/C(=C\C(=C)N1CC2(CCOCC2)C1)C(C)C)C(C)C
• InChI: InChI=1S/C19H31NO/c1-14(2)17(6)18(15(3)4)11-16(5)20-12-19(13-20)7-9-21-10-8-19/h11,14-15H,5-10,12-13H2,1-4H3/b18-11-
• InChIKey: SUUMJULETRWBAX-WQRHYEAKSA-N
• XLogP: 4.41
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.46
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane (CID 156842978) is 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane is C=C(/C(=C\C(=C)N1CC2(CCOCC2)C1)C(C)C)C(C)C.

What is the InChIKey of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?

The InChIKey is SUUMJULETRWBAX-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17(6)18(15(3)4)11-16(5)20-12-19(13-20)7-9-21-10-8-19/h11,14-15H,5-10,12-13H2,1-4H3/b18-11-.

What are the key properties of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?

2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 289.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 156842978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156842978 — identifiers, structure, computed properties (public domain)

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