4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane

C17H28O6 — CID 142006898

IUPAC4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane
SMILESCC1CCC2(CO1)COC1(OC2)OCC2(CCOC(C)C2)CO1
InChIInChI=1S/C17H28O6/c1-13-3-4-16(8-19-13)11-22-17(23-12-16)20-9-15(10-21-17)5-6-18-14(2)7-15/h13-14H,3-12H2,1-2H3
InChIKeyOZUJMIARIKZKDB-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.06
Rot. Bonds

About 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane

4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane (PubChem CID 142006898) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane.

Molecular Properties

Compound Name4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane
PubChem CID142006898
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Name4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane
SMILESCC1CCC2(CO1)COC1(OC2)OCC2(CCOC(C)C2)CO1
InChIInChI=1S/C17H28O6/c1-13-3-4-16(8-19-13)11-22-17(23-12-16)20-9-15(10-21-17)5-6-18-14(2)7-15/h13-14H,3-12H2,1-2H3
InChIKeyOZUJMIARIKZKDB-UHFFFAOYSA-N
XLogP2.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane?
The IUPAC name of 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane (CID 142006898) is 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane.
What is the SMILES notation for 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane?
The canonical SMILES for 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane is CC1CCC2(CO1)COC1(OC2)OCC2(CCOC(C)C2)CO1.
What is the InChIKey of 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane?
The InChIKey is OZUJMIARIKZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-13-3-4-16(8-19-13)11-22-17(23-12-16)20-9-15(10-21-17)5-6-18-14(2)7-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane?
4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane has a molecular weight of 328.41 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-dimethyl-3,8,10,16,19,20-hexaoxatrispiro[5.2.2.512.29.26]henicosane is sourced from PubChem (CID 142006898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).