3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol

C18H28O7 — CID 14222572

IUPAC3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol
SMILESOc1c2cccc1COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C18H28O7/c19-18-16-2-1-3-17(18)15-25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-14-16/h1-3,19H,4-15H2
InChIKeyVQZGDJOZXONYRW-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.51
Rot. Bonds

About 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol

3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol (PubChem CID 14222572) has the molecular formula C18H28O7 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol.

Molecular Properties

Compound Name3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol
PubChem CID14222572
Molecular FormulaC18H28O7
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol
SMILESOc1c2cccc1COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C18H28O7/c19-18-16-2-1-3-17(18)15-25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-14-16/h1-3,19H,4-15H2
InChIKeyVQZGDJOZXONYRW-UHFFFAOYSA-N
XLogP1.51
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol?
The IUPAC name of 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol (CID 14222572) is 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol.
What is the SMILES notation for 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol?
The canonical SMILES for 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol is Oc1c2cccc1COCCOCCOCCOCCOCCOC2.
What is the InChIKey of 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol?
The InChIKey is VQZGDJOZXONYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O7/c19-18-16-2-1-3-17(18)15-25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-14-16/h1-3,19H,4-15H2.
What are the key properties of 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol?
3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol has a molecular weight of 356.42 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-ol is sourced from PubChem (CID 14222572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).