1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one

C23H34O5 — CID 74332978

About 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one

1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one (PubChem CID 74332978) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one.

Molecular Properties

• Compound Name: 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one
• PubChem CID: 74332978
• Molecular Formula: C23H34O5
• Molecular Weight: 390.52 g/mol
• Exact Mass: 390.24
• IUPAC Name: 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one
• SMILES: C=C1CC(=O)C=C(C)CCC2C(=CC=CC(C)(C)OC)C(OC)OC(OC)C12
• InChI: InChI=1S/C23H34O5/c1-15-10-11-18-19(9-8-12-23(3,4)27-7)21(25-5)28-22(26-6)20(18)16(2)14-17(24)13-15/h8-9,12-13,18,20-22H,2,10-11,14H2,1,3-7H3
• InChIKey: SWDXYFIXGCHEQG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one?

The IUPAC name of 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one (CID 74332978) is 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one.

What is the SMILES notation for 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one?

The canonical SMILES for 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one is C=C1CC(=O)C=C(C)CCC2C(=CC=CC(C)(C)OC)C(OC)OC(OC)C12.

What is the InChIKey of 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one?

The InChIKey is SWDXYFIXGCHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-15-10-11-18-19(9-8-12-23(3,4)27-7)21(25-5)28-22(26-6)20(18)16(2)14-17(24)13-15/h8-9,12-13,18,20-22H,2,10-11,14H2,1,3-7H3.

What are the key properties of 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one?

1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one has a molecular weight of 390.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxy-4-(4-methoxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,11a-tetrahydro-1H-cyclonona[c]pyran-9-one is sourced from PubChem (CID 74332978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).