2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane

C61H118N6O19 — CID 157169086

About 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane

2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane (PubChem CID 157169086) has the molecular formula C61H118N6O19 and a molecular weight of 1239.64 g/mol. Its IUPAC name is 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane.

Molecular Properties

• Compound Name: 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane
• PubChem CID: 157169086
• Molecular Formula: C61H118N6O19
• Molecular Weight: 1239.64 g/mol
• Exact Mass: 1238.85
• IUPAC Name: 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane
• SMILES: C.C=CC(=O)OCC(C)OCC(COC(C)COC(=O)CCC)OC(C)COC(=O)C=C.CC(COCC(O)CN1CCN(CC(O)COC(C)COC(C)COCC(O)CN2CCN(C)CC2)CC1)OCC(C)OCC(O)CN1CCN(C)CC1
• InChI: InChI=1S/C38H78N6O10.C22H36O9.CH4/c1-31(23-49-27-35(45)19-41-11-7-39(5)8-12-41)52-26-34(4)54-30-38(48)22-44-17-15-43(16-18-44)20-36(46)28-50-24-32(2)51-25-33(3)53-29-37(47)21-42-13-9-40(6)10-14-42;1-7-10-22(25)30-12-17(5)27-15-19(31-18(6)13-29-21(24)9-3)14-26-16(4)11-28-20(23)8-2;/h31-38,45-48H,7-30H2,1-6H3;8-9,16-19H,2-3,7,10-15H2,1,4-6H3;1H4
• InChIKey: ANGAXIDHMVMVPD-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 262.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 46
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1239.64
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane?

The IUPAC name of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane (CID 157169086) is 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane.

What is the SMILES notation for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane?

The canonical SMILES for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane is C.C=CC(=O)OCC(C)OCC(COC(C)COC(=O)CCC)OC(C)COC(=O)C=C.CC(COCC(O)CN1CCN(CC(O)COC(C)COC(C)COCC(O)CN2CCN(C)CC2)CC1)OCC(C)OCC(O)CN1CCN(C)CC1.

What is the InChIKey of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane?

The InChIKey is ANGAXIDHMVMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78N6O10.C22H36O9.CH4/c1-31(23-49-27-35(45)19-41-11-7-39(5)8-12-41)52-26-34(4)54-30-38(48)22-44-17-15-43(16-18-44)20-36(46)28-50-24-32(2)51-25-33(3)53-29-37(47)21-42-13-9-40(6)10-14-42;1-7-10-22(25)30-12-17(5)27-15-19(31-18(6)13-29-21(24)9-3)14-26-16(4)11-28-20(23)8-2;/h31-38,45-48H,7-30H2,1-6H3;8-9,16-19H,2-3,7,10-15H2,1,4-6H3;1H4.

What are the key properties of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane?

2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane has a molecular weight of 1239.64 g/mol, XLogP of 1.20, 46 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane is sourced from PubChem (CID 157169086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).