6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

C22H26O2 — CID 90482542

IUPAC6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
SMILESC1CC2C3C1OC1CC14C1C5CCC6OC7CC78C2C(C1C8C65)C34
InChIInChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2
InChIKeyJBQGDLRPBXUISA-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.11
Rot. Bonds

About 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (PubChem CID 90482542) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane.

Molecular Properties

Compound Name6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
PubChem CID90482542
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
SMILESC1CC2C3C1OC1CC14C1C5CCC6OC7CC78C2C(C1C8C65)C34
InChIInChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2
InChIKeyJBQGDLRPBXUISA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The IUPAC name of 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (CID 90482542) is 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane.
What is the SMILES notation for 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The canonical SMILES for 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane is C1CC2C3C1OC1CC14C1C5CCC6OC7CC78C2C(C1C8C65)C34.
What is the InChIKey of 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The InChIKey is JBQGDLRPBXUISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2.
What are the key properties of 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane has a molecular weight of 322.45 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane is sourced from PubChem (CID 90482542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).