(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane

C23H34O5 — CID 11058243

IUPAC(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane
SMILESC1COCCOCCOCCOCCC[C@@]23O[C@@]4(C1)[C@@H]1[C@@H]5[C@@H]6C[C@H]([C@@H]5[C@@H]12)[C@@H]3[C@H]64
InChIInChI=1S/C23H34O5/c1-3-22-18-14-13-15-17-16(14)20(22)21(17)23(28-22,19(15)18)4-2-6-25-8-10-27-12-11-26-9-7-24-5-1/h14-21H,1-13H2/t14-,15+,16+,17-,18-,19+,20+,21-,22+,23-
InChIKeyWZXWSUYHIZWFRN-JEBGXZMFSA-N
MW390.52 g/mol
LogP2.52
Rot. Bonds

About (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane

(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane (PubChem CID 11058243) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane.

Molecular Properties

Compound Name(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane
PubChem CID11058243
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane
SMILESC1COCCOCCOCCOCCC[C@@]23O[C@@]4(C1)[C@@H]1[C@@H]5[C@@H]6C[C@H]([C@@H]5[C@@H]12)[C@@H]3[C@H]64
InChIInChI=1S/C23H34O5/c1-3-22-18-14-13-15-17-16(14)20(22)21(17)23(28-22,19(15)18)4-2-6-25-8-10-27-12-11-26-9-7-24-5-1/h14-21H,1-13H2/t14-,15+,16+,17-,18-,19+,20+,21-,22+,23-
InChIKeyWZXWSUYHIZWFRN-JEBGXZMFSA-N
XLogP2.52
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane?
The IUPAC name of (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane (CID 11058243) is (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane.
What is the SMILES notation for (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane?
The canonical SMILES for (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane is C1COCCOCCOCCOCCC[C@@]23O[C@@]4(C1)[C@@H]1[C@@H]5[C@@H]6C[C@H]([C@@H]5[C@@H]12)[C@@H]3[C@H]64.
What is the InChIKey of (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane?
The InChIKey is WZXWSUYHIZWFRN-JEBGXZMFSA-N. The full InChI is InChI=1S/C23H34O5/c1-3-22-18-14-13-15-17-16(14)20(22)21(17)23(28-22,19(15)18)4-2-6-25-8-10-27-12-11-26-9-7-24-5-1/h14-21H,1-13H2/t14-,15+,16+,17-,18-,19+,20+,21-,22+,23-.
What are the key properties of (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane?
(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane has a molecular weight of 390.52 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane is sourced from PubChem (CID 11058243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).