[3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane

C30H60Cl2O14Si2 — CID 158980693

About [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane

[3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane (PubChem CID 158980693) has the molecular formula C30H60Cl2O14Si2 and a molecular weight of 771.87 g/mol. Its IUPAC name is [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane.

Molecular Properties

• Compound Name: [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane
• PubChem CID: 158980693
• Molecular Formula: C30H60Cl2O14Si2
• Molecular Weight: 771.87 g/mol
• Exact Mass: 770.29
• IUPAC Name: [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane
• SMILES: C.C[Si](C)(CCCOCC1CO1)O[Si](C)(C)CCCOCC1CO1.O=C(CCl)OCC(O)COCC(O)COCC(O)COC(=O)CCl
• InChI: InChI=1S/C16H34O5Si2.C13H22Cl2O9.CH4/c1-22(2,9-5-7-17-11-15-13-19-15)21-23(3,4)10-6-8-18-12-16-14-20-16;14-1-12(19)23-7-10(17)5-21-3-9(16)4-22-6-11(18)8-24-13(20)2-15;/h15-16H,5-14H2,1-4H3;9-11,16-18H,1-8H2;1H4
• InChIKey: JOYQJUYBTILAHQ-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 184.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.87
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane?

The IUPAC name of [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane (CID 158980693) is [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane.

What is the SMILES notation for [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane?

The canonical SMILES for [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane is C.C[Si](C)(CCCOCC1CO1)O[Si](C)(C)CCCOCC1CO1.O=C(CCl)OCC(O)COCC(O)COCC(O)COC(=O)CCl.

What is the InChIKey of [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane?

The InChIKey is JOYQJUYBTILAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5Si2.C13H22Cl2O9.CH4/c1-22(2,9-5-7-17-11-15-13-19-15)21-23(3,4)10-6-8-18-12-16-14-20-16;14-1-12(19)23-7-10(17)5-21-3-9(16)4-22-6-11(18)8-24-13(20)2-15;/h15-16H,5-14H2,1-4H3;9-11,16-18H,1-8H2;1H4.

What are the key properties of [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane?

[3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane has a molecular weight of 771.87 g/mol, XLogP of 2.33, 28 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[3-(2-chloroacetyl)oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-chloroacetate;[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;methane is sourced from PubChem (CID 158980693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).