14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene

C26H36O8 — CID 90365748

IUPAC14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
SMILESCc1ccc2c(c1)OCCOCCOCCOc1ccc(C)cc1OCCOCCOCCO2
InChIInChI=1S/C26H36O8/c1-21-3-5-23-25(19-21)33-17-13-29-9-7-28-12-16-32-24-6-4-22(2)20-26(24)34-18-14-30-10-8-27-11-15-31-23/h3-6,19-20H,7-18H2,1-2H3
InChIKeyPFTHQCWJBWQTHJ-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.60
Rot. Bonds

About 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene

14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene (PubChem CID 90365748) has the molecular formula C26H36O8 and a molecular weight of 476.57 g/mol. Its IUPAC name is 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene.

Molecular Properties

Compound Name14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
PubChem CID90365748
Molecular FormulaC26H36O8
Molecular Weight476.57 g/mol
Exact Mass476.24
IUPAC Name14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
SMILESCc1ccc2c(c1)OCCOCCOCCOc1ccc(C)cc1OCCOCCOCCO2
InChIInChI=1S/C26H36O8/c1-21-3-5-23-25(19-21)33-17-13-29-9-7-28-12-16-32-24-6-4-22(2)20-26(24)34-18-14-30-10-8-27-11-15-31-23/h3-6,19-20H,7-18H2,1-2H3
InChIKeyPFTHQCWJBWQTHJ-UHFFFAOYSA-N
XLogP3.60
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene with MolForge

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Related Compounds

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CID 144869652
5-methyl-1,3-benzodioxole
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CID 102398924
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
ethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 142832225
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 2724802
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
CID 143901590

Frequently Asked Questions

What is the IUPAC name of 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene?
The IUPAC name of 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene (CID 90365748) is 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene.
What is the SMILES notation for 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene?
The canonical SMILES for 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene is Cc1ccc2c(c1)OCCOCCOCCOc1ccc(C)cc1OCCOCCOCCO2.
What is the InChIKey of 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene?
The InChIKey is PFTHQCWJBWQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O8/c1-21-3-5-23-25(19-21)33-17-13-29-9-7-28-12-16-32-24-6-4-22(2)20-26(24)34-18-14-30-10-8-27-11-15-31-23/h3-6,19-20H,7-18H2,1-2H3.
What are the key properties of 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene?
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene has a molecular weight of 476.57 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene is sourced from PubChem (CID 90365748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).