5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C18H26BO4P3 — CID 20821710

About 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 20821710) has the molecular formula C18H26BO4P3 and a molecular weight of 410.14 g/mol. Its IUPAC name is 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

• Compound Name: 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
• PubChem CID: 20821710
• Molecular Formula: C18H26BO4P3
• Molecular Weight: 410.14 g/mol
• Exact Mass: 410.11
• IUPAC Name: 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
• SMILES: O=C1CC2C(CC(OB(P)P)C2/C=C/C(CCc2ccccc2)OP)O1
• InChI: InChI=1S/C18H26BO4P3/c20-18-10-15-14(17(22-19(24)25)11-16(15)21-18)9-8-13(23-26)7-6-12-4-2-1-3-5-12/h1-5,8-9,13-17H,6-7,10-11,24-26H2/b9-8+
• InChIKey: ATMZEMITJCRMIZ-CMDGGOBGSA-N
• XLogP: 3.42
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.14
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The IUPAC name of 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 20821710) is 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

What is the SMILES notation for 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The canonical SMILES for 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1CC2C(CC(OB(P)P)C2/C=C/C(CCc2ccccc2)OP)O1.

What is the InChIKey of 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The InChIKey is ATMZEMITJCRMIZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H26BO4P3/c20-18-10-15-14(17(22-19(24)25)11-16(15)21-18)9-8-13(23-26)7-6-12-4-2-1-3-5-12/h1-5,8-9,13-17H,6-7,10-11,24-26H2/b9-8+.

What are the key properties of 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 410.14 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 20821710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).