1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride

C52H113ClO22P2 — CID 161414986

About 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride

1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride (PubChem CID 161414986) has the molecular formula C52H113ClO22P2 and a molecular weight of 1187.85 g/mol. Its IUPAC name is 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride.

Molecular Properties

• Compound Name: 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride
• PubChem CID: 161414986
• Molecular Formula: C52H113ClO22P2
• Molecular Weight: 1187.85 g/mol
• Exact Mass: 1186.69
• IUPAC Name: 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride
• SMILES: C=CP(=O)(OCC)OCC.CC(C)CCOCC(CO)OCC(O)CO.CCOC(C)OCC(O)COC(COCCC(C)C)COC(C)OCC.CCOP(C)(=O)CCOCC(COCCC(C)C)OCC(O)CO.Cl
• InChI: InChI=1S/C19H40O7.C16H35O7P.C11H24O5.C6H13O3P.ClH/c1-7-22-16(5)24-11-18(20)12-26-19(13-21-10-9-15(3)4)14-25-17(6)23-8-2;1-5-23-24(4,19)9-8-21-13-16(22-11-15(18)10-17)12-20-7-6-14(2)3;1-9(2)3-4-15-8-11(6-13)16-7-10(14)5-12;1-4-8-10(7,6-3)9-5-2;/h15-20H,7-14H2,1-6H3;14-18H,5-13H2,1-4H3;9-14H,3-8H2,1-2H3;6H,3-5H2,1-2H3;1H
• InChIKey: GHFIBDSZIZWVCN-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 284.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 49
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1187.85
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride?

The IUPAC name of 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride (CID 161414986) is 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride.

What is the SMILES notation for 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride?

The canonical SMILES for 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride is C=CP(=O)(OCC)OCC.CC(C)CCOCC(CO)OCC(O)CO.CCOC(C)OCC(O)COC(COCCC(C)C)COC(C)OCC.CCOP(C)(=O)CCOCC(COCCC(C)C)OCC(O)CO.Cl.

What is the InChIKey of 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride?

The InChIKey is GHFIBDSZIZWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O7.C16H35O7P.C11H24O5.C6H13O3P.ClH/c1-7-22-16(5)24-11-18(20)12-26-19(13-21-10-9-15(3)4)14-25-17(6)23-8-2;1-5-23-24(4,19)9-8-21-13-16(22-11-15(18)10-17)12-20-7-6-14(2)3;1-9(2)3-4-15-8-11(6-13)16-7-10(14)5-12;1-4-8-10(7,6-3)9-5-2;/h15-20H,7-14H2,1-6H3;14-18H,5-13H2,1-4H3;9-14H,3-8H2,1-2H3;6H,3-5H2,1-2H3;1H.

What are the key properties of 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride?

1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride has a molecular weight of 1187.85 g/mol, XLogP of 6.94, 49 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[ethenyl(ethoxy)phosphoryl]oxyethane;1-(1-ethoxyethoxy)-3-[1-(1-ethoxyethoxy)-3-(3-methylbutoxy)propan-2-yl]oxypropan-2-ol;3-[1-[2-[ethoxy(methyl)phosphoryl]ethoxy]-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;3-[1-hydroxy-3-(3-methylbutoxy)propan-2-yl]oxypropane-1,2-diol;hydrochloride is sourced from PubChem (CID 161414986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).