20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

C17H31ClO6 — CID 140562311

IUPAC20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESClCC1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C17H31ClO6/c18-14-15-1-2-16-17(13-15)24-12-10-22-8-6-20-4-3-19-5-7-21-9-11-23-16/h15-17H,1-14H2
InChIKeyFIESFZOKIKRUKO-UHFFFAOYSA-N
MW366.88 g/mol
LogP1.88
Rot. Bonds1

About 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (PubChem CID 140562311) has the molecular formula C17H31ClO6 and a molecular weight of 366.88 g/mol. Its IUPAC name is 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.

Molecular Properties

Compound Name20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
PubChem CID140562311
Molecular FormulaC17H31ClO6
Molecular Weight366.88 g/mol
Exact Mass366.18
IUPAC Name20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESClCC1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C17H31ClO6/c18-14-15-1-2-16-17(13-15)24-12-10-22-8-6-20-4-3-19-5-7-21-9-11-23-16/h15-17H,1-14H2
InChIKeyFIESFZOKIKRUKO-UHFFFAOYSA-N
XLogP1.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The IUPAC name of 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (CID 140562311) is 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.
What is the SMILES notation for 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The canonical SMILES for 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is ClCC1CCC2OCCOCCOCCOCCOCCOC2C1.
What is the InChIKey of 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The InChIKey is FIESFZOKIKRUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClO6/c18-14-15-1-2-16-17(13-15)24-12-10-22-8-6-20-4-3-19-5-7-21-9-11-23-16/h15-17H,1-14H2.
What are the key properties of 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane has a molecular weight of 366.88 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is sourced from PubChem (CID 140562311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).