bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)

C75H147Fe2O26P4S2 — CID 162295089

About bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)

bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+) (PubChem CID 162295089) has the molecular formula C75H147Fe2O26P4S2 and a molecular weight of 1764.69 g/mol. Its IUPAC name is bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+).

Molecular Properties

• Compound Name: bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)
• PubChem CID: 162295089
• Molecular Formula: C75H147Fe2O26P4S2
• Molecular Weight: 1764.69 g/mol
• Exact Mass: 1763.73
• IUPAC Name: bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)
• SMILES: C=[Fe+].C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)O.C[C@H]1OS(=O)(=O)O[C@H](C)[C@H]2OC(C)(C)O[C@@H]21.C[C@H]1OS(=O)(=O)O[C@H](C)[C@H]2OC(C)(C)O[C@@H]21.C[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@H](C)P1C1CCCC1.C[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@H](C)P1C1CCCC1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.PC1CCCC1.PC1CCCC1.[CH3-].[CH3-].[CH3-].[Fe+2]
• InChI: InChI=1S/2C14H25O2P.2C9H16O6S.C9H18O4.C6H14O6.2C5H11P.3CH3.CH2.2Fe/c2*1-9-12-13(16-14(3,4)15-12)10(2)17(9)11-7-5-6-8-11;2*1-5-7-8(13-9(3,4)12-7)6(2)15-16(10,11)14-5;1-5(10)7-8(6(2)11)13-9(3,4)12-7;7-1-3(9)5(11)6(12)4(10)2-8;2*6-5-3-1-2-4-5;;;;;;/h2*9-13H,5-8H2,1-4H3;2*5-8H,1-4H3;5-8,10-11H,1-4H3;3-12H,1-2H2;2*5H,1-4,6H2;3*1H3;1H2;;/q;;;;;;;;3*-1;;+1;+2/t2*9-,10-,12+,13+;3*5-,6-,7-,8-;3-,4-,5-,6-;;;;;;;;/m001111......../s1
• InChIKey: MWRYECNIRVVDNG-LWYKBKMDSA-N
• XLogP: 10.20
• TPSA: 359.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.69
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)?

The IUPAC name of bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+) (CID 162295089) is bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+).

What is the SMILES notation for bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)?

The canonical SMILES for bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+) is C=[Fe+].C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)O.C[C@H]1OS(=O)(=O)O[C@H](C)[C@H]2OC(C)(C)O[C@@H]21.C[C@H]1OS(=O)(=O)O[C@H](C)[C@H]2OC(C)(C)O[C@@H]21.C[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@H](C)P1C1CCCC1.C[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@H](C)P1C1CCCC1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.PC1CCCC1.PC1CCCC1.[CH3-].[CH3-].[CH3-].[Fe+2].

What is the InChIKey of bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)?

The InChIKey is MWRYECNIRVVDNG-LWYKBKMDSA-N. The full InChI is InChI=1S/2C14H25O2P.2C9H16O6S.C9H18O4.C6H14O6.2C5H11P.3CH3.CH2.2Fe/c2*1-9-12-13(16-14(3,4)15-12)10(2)17(9)11-7-5-6-8-11;2*1-5-7-8(13-9(3,4)12-7)6(2)15-16(10,11)14-5;1-5(10)7-8(6(2)11)13-9(3,4)12-7;7-1-3(9)5(11)6(12)4(10)2-8;2*6-5-3-1-2-4-5;;;;;;/h2*9-13H,5-8H2,1-4H3;2*5-8H,1-4H3;5-8,10-11H,1-4H3;3-12H,1-2H2;2*5H,1-4,6H2;3*1H3;1H2;;/q;;;;;;;;3*-1;;+1;+2/t2*9-,10-,12+,13+;3*5-,6-,7-,8-;3-,4-,5-,6-;;;;;;;;/m001111......../s1.

What are the key properties of bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+)?

bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+) has a molecular weight of 1764.69 g/mol, XLogP of 10.20, 9 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole);bis((3aS,4R,8R,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide);carbanide;cyclopentylphosphane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;iron(2+);methylideneiron(1+) is sourced from PubChem (CID 162295089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).