(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene

C20H22O4 — CID 102197350

IUPAC(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene
SMILESC1=C/COCc2cccc(c2)OCCOc2cccc(c2)COC/1
InChIInChI=1S/C20H22O4/c1-2-10-22-16-18-6-4-8-20(14-18)24-12-11-23-19-7-3-5-17(13-19)15-21-9-1/h1-8,13-14H,9-12,15-16H2/b2-1+
InChIKeyCRTZMONCZBAHGD-OWOJBTEDSA-N
MW326.39 g/mol
LogP3.75
Rot. Bonds

About (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene

(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene (PubChem CID 102197350) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene.

Molecular Properties

Compound Name(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene
PubChem CID102197350
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene
SMILESC1=C/COCc2cccc(c2)OCCOc2cccc(c2)COC/1
InChIInChI=1S/C20H22O4/c1-2-10-22-16-18-6-4-8-20(14-18)24-12-11-23-19-7-3-5-17(13-19)15-21-9-1/h1-8,13-14H,9-12,15-16H2/b2-1+
InChIKeyCRTZMONCZBAHGD-OWOJBTEDSA-N
XLogP3.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 542566
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CID 132510493
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CID 132513518
(33E)-22,25,28,31,36,39,42,45-octaoxaheptacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21]hexaconta-1(48),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),33,46,49-nonadecaene
CID 58971130

Frequently Asked Questions

What is the IUPAC name of (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene?
The IUPAC name of (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene (CID 102197350) is (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene.
What is the SMILES notation for (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene?
The canonical SMILES for (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene is C1=C/COCc2cccc(c2)OCCOc2cccc(c2)COC/1.
What is the InChIKey of (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene?
The InChIKey is CRTZMONCZBAHGD-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H22O4/c1-2-10-22-16-18-6-4-8-20(14-18)24-12-11-23-19-7-3-5-17(13-19)15-21-9-1/h1-8,13-14H,9-12,15-16H2/b2-1+.
What are the key properties of (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene?
(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene has a molecular weight of 326.39 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene is sourced from PubChem (CID 102197350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).