1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride

C28H65ClINO16P2 — CID 160594088

About 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride

1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride (PubChem CID 160594088) has the molecular formula C28H65ClINO16P2 and a molecular weight of 896.12 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride.

Molecular Properties

• Compound Name: 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride
• PubChem CID: 160594088
• Molecular Formula: C28H65ClINO16P2
• Molecular Weight: 896.12 g/mol
• Exact Mass: 895.25
• IUPAC Name: 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride
• SMILES: C.C1CO1.CC(COC(=O)OC(C)COCCO)OCCO.CC(O)CO.CC(O)COC(=O)OC(C)CO.CC1CO1.CI.[Cl-].[NH2+]=PP
• InChI: InChI=1S/C11H22O7.C7H14O5.C3H8O2.C3H6O.C2H4O.CH3I.CH4.ClH.H3NP2/c1-9(16-6-4-13)8-17-11(14)18-10(2)7-15-5-3-12;1-5(9)4-11-7(10)12-6(2)3-8;1-3(5)2-4;1-3-2-4-3;1-2-3-1;1-2;;;1-3-2/h9-10,12-13H,3-8H2,1-2H3;5-6,8-9H,3-4H2,1-2H3;3-5H,2H2,1H3;3H,2H2,1H3;1-2H2;1H3;1H4;1H;1H,2H2
• InChIKey: RYPHYJUELPDVKA-UHFFFAOYSA-N
• XLogP: -2.03
• TPSA: 261.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.12
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride?

The IUPAC name of 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride (CID 160594088) is 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride.

What is the SMILES notation for 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride?

The canonical SMILES for 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride is C.C1CO1.CC(COC(=O)OC(C)COCCO)OCCO.CC(O)CO.CC(O)COC(=O)OC(C)CO.CC1CO1.CI.[Cl-].[NH2+]=PP.

What is the InChIKey of 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride?

The InChIKey is RYPHYJUELPDVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7.C7H14O5.C3H8O2.C3H6O.C2H4O.CH3I.CH4.ClH.H3NP2/c1-9(16-6-4-13)8-17-11(14)18-10(2)7-15-5-3-12;1-5(9)4-11-7(10)12-6(2)3-8;1-3(5)2-4;1-3-2-4-3;1-2-3-1;1-2;;;1-3-2/h9-10,12-13H,3-8H2,1-2H3;5-6,8-9H,3-4H2,1-2H3;3-5H,2H2,1H3;3H,2H2,1H3;1-2H2;1H3;1H4;1H;1H,2H2.

What are the key properties of 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride?

1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride has a molecular weight of 896.12 g/mol, XLogP of -2.03, 15 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride is sourced from PubChem (CID 160594088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).