2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane

C32H53ClO13S2 — CID 158075310

About 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane

2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane (PubChem CID 158075310) has the molecular formula C32H53ClO13S2 and a molecular weight of 745.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane.

Molecular Properties

• Compound Name: 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane
• PubChem CID: 158075310
• Molecular Formula: C32H53ClO13S2
• Molecular Weight: 745.35 g/mol
• Exact Mass: 744.26
• IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane
• SMILES: C1CCOC1.COCCOCCOCCO.COCCOCCOCCOS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)Cl)cc1
• InChI: InChI=1S/C14H22O6S.C7H7ClO2S.C7H16O4.C4H8O/c1-13-3-5-14(6-4-13)21(15,16)20-12-11-19-10-9-18-8-7-17-2;1-6-2-4-7(5-3-6)11(8,9)10;1-9-4-5-11-7-6-10-3-2-8;1-2-4-5-3-1/h3-6H,7-12H2,1-2H3;2-5H,1H3;8H,2-7H2,1H3;1-4H2
• InChIKey: FMHIXFSHMJZGPM-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 162.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.35
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane?

The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane (CID 158075310) is 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane.

What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane?

The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane is C1CCOC1.COCCOCCOCCO.COCCOCCOCCOS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)Cl)cc1.

What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane?

The InChIKey is FMHIXFSHMJZGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6S.C7H7ClO2S.C7H16O4.C4H8O/c1-13-3-5-14(6-4-13)21(15,16)20-12-11-19-10-9-18-8-7-17-2;1-6-2-4-7(5-3-6)11(8,9)10;1-9-4-5-11-7-6-10-3-2-8;1-2-4-5-3-1/h3-6H,7-12H2,1-2H3;2-5H,1H3;8H,2-7H2,1H3;1-4H2.

What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane?

2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane has a molecular weight of 745.35 g/mol, XLogP of 3.76, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;oxolane is sourced from PubChem (CID 158075310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).