2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate

C30H52O16 — CID 101455803

About 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate (PubChem CID 101455803) has the molecular formula C30H52O16 and a molecular weight of 668.73 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate
• PubChem CID: 101455803
• Molecular Formula: C30H52O16
• Molecular Weight: 668.73 g/mol
• Exact Mass: 668.33
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate
• SMILES: C=C(COC(=O)C(C)(COC(C)=O)COC(C)=O)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC
• InChI: InChI=1S/C30H52O16/c1-25(22-44-29(34)30(4,23-45-26(2)31)24-46-27(3)32)28(33)43-21-20-42-19-18-41-17-16-40-15-14-39-13-12-38-11-10-37-9-8-36-7-6-35-5/h1,6-24H2,2-5H3
• InChIKey: OSXUMTRNXGHVQV-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.73
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate (CID 101455803) is 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate is C=C(COC(=O)C(C)(COC(C)=O)COC(C)=O)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate?

The InChIKey is OSXUMTRNXGHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O16/c1-25(22-44-29(34)30(4,23-45-26(2)31)24-46-27(3)32)28(33)43-21-20-42-19-18-41-17-16-40-15-14-39-13-12-38-11-10-37-9-8-36-7-6-35-5/h1,6-24H2,2-5H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate?

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate has a molecular weight of 668.73 g/mol, XLogP of 0.52, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]prop-2-enyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate is sourced from PubChem (CID 101455803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).