(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene

C21H32O6 — CID 155152343

IUPAC(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene
SMILESC=C/C1=C(\C)OCCCOCCCOC2CC=CC=C2OCCOCCO1
InChIInChI=1S/C21H32O6/c1-3-19-18(2)24-12-6-10-22-11-7-13-25-20-8-4-5-9-21(20)27-17-15-23-14-16-26-19/h3-5,9,20H,1,6-8,10-17H2,2H3/b19-18-
InChIKeyFMKAKAUTKDQTAJ-HNENSFHCSA-N
MW380.48 g/mol
LogP3.51
Rot. Bonds1

About (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene

(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene (PubChem CID 155152343) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene.

Molecular Properties

Compound Name(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene
PubChem CID155152343
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene
SMILESC=C/C1=C(\C)OCCCOCCCOC2CC=CC=C2OCCOCCO1
InChIInChI=1S/C21H32O6/c1-3-19-18(2)24-12-6-10-22-11-7-13-25-20-8-4-5-9-21(20)27-17-15-23-14-16-26-19/h3-5,9,20H,1,6-8,10-17H2,2H3/b19-18-
InChIKeyFMKAKAUTKDQTAJ-HNENSFHCSA-N
XLogP3.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene?
The IUPAC name of (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene (CID 155152343) is (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene.
What is the SMILES notation for (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene?
The canonical SMILES for (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene is C=C/C1=C(\C)OCCCOCCCOC2CC=CC=C2OCCOCCO1.
What is the InChIKey of (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene?
The InChIKey is FMKAKAUTKDQTAJ-HNENSFHCSA-N. The full InChI is InChI=1S/C21H32O6/c1-3-19-18(2)24-12-6-10-22-11-7-13-25-20-8-4-5-9-21(20)27-17-15-23-14-16-26-19/h3-5,9,20H,1,6-8,10-17H2,2H3/b19-18-.
What are the key properties of (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene?
(9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene has a molecular weight of 380.48 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-ethenyl-10-methyl-2,5,8,11,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(24),9,22-triene is sourced from PubChem (CID 155152343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).