3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane

C14H30O6S — CID 90098533

IUPAC3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane
SMILESCOCCOC(C)CCS(=O)(=O)CCC(C)OCCOC
InChIInChI=1S/C14H30O6S/c1-13(19-9-7-17-3)5-11-21(15,16)12-6-14(2)20-10-8-18-4/h13-14H,5-12H2,1-4H3
InChIKeyHCRDZNNTBMNHBO-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.28
Rot. Bonds14

About 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane

3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane (PubChem CID 90098533) has the molecular formula C14H30O6S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane
PubChem CID90098533
Molecular FormulaC14H30O6S
Molecular Weight326.46 g/mol
Exact Mass326.18
IUPAC Name3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane
SMILESCOCCOC(C)CCS(=O)(=O)CCC(C)OCCOC
InChIInChI=1S/C14H30O6S/c1-13(19-9-7-17-3)5-11-21(15,16)12-6-14(2)20-10-8-18-4/h13-14H,5-12H2,1-4H3
InChIKeyHCRDZNNTBMNHBO-UHFFFAOYSA-N
XLogP1.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane?
The IUPAC name of 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane (CID 90098533) is 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane is COCCOC(C)CCS(=O)(=O)CCC(C)OCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane?
The InChIKey is HCRDZNNTBMNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6S/c1-13(19-9-7-17-3)5-11-21(15,16)12-6-14(2)20-10-8-18-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane?
3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane has a molecular weight of 326.46 g/mol, XLogP of 1.28, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[3-(2-methoxyethoxy)butylsulfonyl]butane is sourced from PubChem (CID 90098533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).