4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

C19H22O4 — CID 11723155

IUPAC4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESCC1COc2ccccc2OCCCOc2ccccc2OC1
InChIInChI=1S/C19H22O4/c1-15-13-22-18-9-4-2-7-16(18)20-11-6-12-21-17-8-3-5-10-19(17)23-14-15/h2-5,7-10,15H,6,11-14H2,1H3
InChIKeyYNZJHKYNLAGHAI-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.94
Rot. Bonds

About 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (PubChem CID 11723155) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene.

Molecular Properties

Compound Name4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
PubChem CID11723155
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESCC1COc2ccccc2OCCCOc2ccccc2OC1
InChIInChI=1S/C19H22O4/c1-15-13-22-18-9-4-2-7-16(18)20-11-6-12-21-17-8-3-5-10-19(17)23-14-15/h2-5,7-10,15H,6,11-14H2,1H3
InChIKeyYNZJHKYNLAGHAI-UHFFFAOYSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The IUPAC name of 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (CID 11723155) is 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene.
What is the SMILES notation for 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The canonical SMILES for 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is CC1COc2ccccc2OCCCOc2ccccc2OC1.
What is the InChIKey of 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The InChIKey is YNZJHKYNLAGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-15-13-22-18-9-4-2-7-16(18)20-11-6-12-21-17-8-3-5-10-19(17)23-14-15/h2-5,7-10,15H,6,11-14H2,1H3.
What are the key properties of 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene has a molecular weight of 314.38 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is sourced from PubChem (CID 11723155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).