(2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

C22H34O2 — CID 134982294

About (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

(2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (PubChem CID 134982294) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

Molecular Properties

• Compound Name: (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
• PubChem CID: 134982294
• Molecular Formula: C22H34O2
• Molecular Weight: 330.51 g/mol
• Exact Mass: 330.26
• IUPAC Name: (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
• SMILES: C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@@H]1CC=CC(OC(C)C)O1)CC
• InChI: InChI=1S/C22H34O2/c1-7-20(16-19(6)11-8-10-17(2)3)14-15-21-12-9-13-22(24-21)23-18(4)5/h8-10,13-16,18-19,21-22H,2,7,11-12H2,1,3-6H3/b10-8+,15-14+,20-16-/t19-,21+,22?/m1/s1
• InChIKey: DYQRSYPWUYGIGG-VOYHPUAJSA-N
• XLogP: 6.13
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.51
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The IUPAC name of (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (CID 134982294) is (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

What is the SMILES notation for (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The canonical SMILES for (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@@H]1CC=CC(OC(C)C)O1)CC.

What is the InChIKey of (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The InChIKey is DYQRSYPWUYGIGG-VOYHPUAJSA-N. The full InChI is InChI=1S/C22H34O2/c1-7-20(16-19(6)11-8-10-17(2)3)14-15-21-12-9-13-22(24-21)23-18(4)5/h8-10,13-16,18-19,21-22H,2,7,11-12H2,1,3-6H3/b10-8+,15-14+,20-16-/t19-,21+,22?/m1/s1.

What are the key properties of (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

(2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran has a molecular weight of 330.51 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134982294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).