[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene

C36H38O4 — CID 10530376

About [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene

[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene (PubChem CID 10530376) has the molecular formula C36H38O4 and a molecular weight of 534.70 g/mol. Its IUPAC name is [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene.

Molecular Properties

• Compound Name: [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene
• PubChem CID: 10530376
• Molecular Formula: C36H38O4
• Molecular Weight: 534.70 g/mol
• Exact Mass: 534.28
• IUPAC Name: [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene
• SMILES: C=C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
• InChI: InChI=1S/C36H38O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h3-24,33-36H,1-2,25-28H2/t33-,34-,35-,36-/m1/s1
• InChIKey: PMLDCSYHQHSXNK-MGXDLYCJSA-N
• XLogP: 7.70
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.70
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene?

The IUPAC name of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene (CID 10530376) is [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene.

What is the SMILES notation for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene?

The canonical SMILES for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene is C=C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1.

What is the InChIKey of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene?

The InChIKey is PMLDCSYHQHSXNK-MGXDLYCJSA-N. The full InChI is InChI=1S/C36H38O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h3-24,33-36H,1-2,25-28H2/t33-,34-,35-,36-/m1/s1.

What are the key properties of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene?

[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene has a molecular weight of 534.70 g/mol, XLogP of 7.70, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1R)-1-phenylmethoxyprop-2-enyl]pent-4-enoxy]methylbenzene is sourced from PubChem (CID 10530376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).