methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate

C15H26O12S2 — CID 159410023

About methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate

methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate (PubChem CID 159410023) has the molecular formula C15H26O12S2 and a molecular weight of 462.50 g/mol. Its IUPAC name is methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate.

Molecular Properties

• Compound Name: methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate
• PubChem CID: 159410023
• Molecular Formula: C15H26O12S2
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.09
• IUPAC Name: methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate
• SMILES: C.C=C(OS(C)(=O)=O)C(=O)OCCOCCOCCOC(=O)C(=C)OS(C)(=O)=O
• InChI: InChI=1S/C14H22O12S2.CH4/c1-11(25-27(3,17)18)13(15)23-9-7-21-5-6-22-8-10-24-14(16)12(2)26-28(4,19)20;/h1-2,5-10H2,3-4H3;1H4
• InChIKey: LOLRUTUIDOLZLD-UHFFFAOYSA-N
• XLogP: -0.28
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate?

The IUPAC name of methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate (CID 159410023) is methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate.

What is the SMILES notation for methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate?

The canonical SMILES for methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate is C.C=C(OS(C)(=O)=O)C(=O)OCCOCCOCCOC(=O)C(=C)OS(C)(=O)=O.

What is the InChIKey of methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate?

The InChIKey is LOLRUTUIDOLZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O12S2.CH4/c1-11(25-27(3,17)18)13(15)23-9-7-21-5-6-22-8-10-24-14(16)12(2)26-28(4,19)20;/h1-2,5-10H2,3-4H3;1H4.

What are the key properties of methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate?

methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate has a molecular weight of 462.50 g/mol, XLogP of -0.28, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylsulfonyloxyprop-2-enoate is sourced from PubChem (CID 159410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).