(8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one

C24H35NO — CID 134377340

About (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one

(8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one (PubChem CID 134377340) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one.

Molecular Properties

• Compound Name: (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one
• PubChem CID: 134377340
• Molecular Formula: C24H35NO
• Molecular Weight: 353.55 g/mol
• Exact Mass: 353.27
• IUPAC Name: (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one
• SMILES: C=C(C)/C1=C/CC2(CCC2)CN(C)C(=C)/C(C)=C(\CC(=C)C(C)C)C1=O
• InChI: InChI=1S/C24H35NO/c1-16(2)18(5)14-22-19(6)20(7)25(8)15-24(11-9-12-24)13-10-21(17(3)4)23(22)26/h10,16H,3,5,7,9,11-15H2,1-2,4,6,8H3/b21-10-,22-19+
• InChIKey: JDWUPCZSEQHUHM-PRXZTDBTSA-N
• XLogP: 6.00
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.55
LogP ≤ 5	6.00
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 (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one?

The IUPAC name of (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one (CID 134377340) is (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one.

What is the SMILES notation for (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one?

The canonical SMILES for (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one is C=C(C)/C1=C/CC2(CCC2)CN(C)C(=C)/C(C)=C(\CC(=C)C(C)C)C1=O.

What is the InChIKey of (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one?

The InChIKey is JDWUPCZSEQHUHM-PRXZTDBTSA-N. The full InChI is InChI=1S/C24H35NO/c1-16(2)18(5)14-22-19(6)20(7)25(8)15-24(11-9-12-24)13-10-21(17(3)4)23(22)26/h10,16H,3,5,7,9,11-15H2,1-2,4,6,8H3/b21-10-,22-19+.

What are the key properties of (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one?

(8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one has a molecular weight of 353.55 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one is sourced from PubChem (CID 134377340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).