methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate

C27H43ClO22S3 — CID 158987317

About methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate

methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate (PubChem CID 158987317) has the molecular formula C27H43ClO22S3 and a molecular weight of 851.27 g/mol. Its IUPAC name is methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate.

Molecular Properties

• Compound Name: methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate
• PubChem CID: 158987317
• Molecular Formula: C27H43ClO22S3
• Molecular Weight: 851.27 g/mol
• Exact Mass: 850.11
• IUPAC Name: methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate
• SMILES: C=C(OS(C)(=O)=O)C(=O)OCCOCCOCCOC(=C)C(=O)OS(C)(=O)=O.CC(=O)C(=O)OCCOCCOCCOC(=O)C(C)=O.CS(=O)(=O)Cl
• InChI: InChI=1S/C14H22O12S2.C12H18O8.CH3ClO2S/c1-11(14(16)26-28(4,19)20)23-9-7-21-5-6-22-8-10-24-13(15)12(2)25-27(3,17)18;1-9(13)11(15)19-7-5-17-3-4-18-6-8-20-12(16)10(2)14;1-5(2,3)4/h1-2,5-10H2,3-4H3;3-8H2,1-2H3;1H3
• InChIKey: JPSOFLRDKJCPOP-UHFFFAOYSA-N
• XLogP: -1.45
• TPSA: 297.14 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.27
LogP ≤ 5	-1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate?

The IUPAC name of methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate (CID 158987317) is methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate.

What is the SMILES notation for methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate?

The canonical SMILES for methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate is C=C(OS(C)(=O)=O)C(=O)OCCOCCOCCOC(=C)C(=O)OS(C)(=O)=O.CC(=O)C(=O)OCCOCCOCCOC(=O)C(C)=O.CS(=O)(=O)Cl.

What is the InChIKey of methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate?

The InChIKey is JPSOFLRDKJCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O12S2.C12H18O8.CH3ClO2S/c1-11(14(16)26-28(4,19)20)23-9-7-21-5-6-22-8-10-24-13(15)12(2)25-27(3,17)18;1-9(13)11(15)19-7-5-17-3-4-18-6-8-20-12(16)10(2)14;1-5(2,3)4/h1-2,5-10H2,3-4H3;3-8H2,1-2H3;1H3.

What are the key properties of methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate?

methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate has a molecular weight of 851.27 g/mol, XLogP of -1.45, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methanesulfonyl chloride;methylsulfonyl 2-[2-[2-[2-(2-methylsulfonyloxyprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]prop-2-enoate;2-[2-[2-(2-oxopropanoyloxy)ethoxy]ethoxy]ethyl 2-oxopropanoate is sourced from PubChem (CID 158987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).