4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

C24H28O6 — CID 3692606

IUPAC4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESC=CCOC1COc2ccccc2OCC(OCC=C)COc2ccccc2OC1
InChIInChI=1S/C24H28O6/c1-3-13-25-19-15-27-21-9-5-7-11-23(21)29-17-20(26-14-4-2)18-30-24-12-8-6-10-22(24)28-16-19/h3-12,19-20H,1-2,13-18H2
InChIKeyFYLWDVFSZIKWHM-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.06
Rot. Bonds6

About 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (PubChem CID 3692606) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene.

Molecular Properties

Compound Name4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
PubChem CID3692606
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESC=CCOC1COc2ccccc2OCC(OCC=C)COc2ccccc2OC1
InChIInChI=1S/C24H28O6/c1-3-13-25-19-15-27-21-9-5-7-11-23(21)29-17-20(26-14-4-2)18-30-24-12-8-6-10-22(24)28-16-19/h3-12,19-20H,1-2,13-18H2
InChIKeyFYLWDVFSZIKWHM-UHFFFAOYSA-N
XLogP4.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The IUPAC name of 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (CID 3692606) is 4,15-bis(prop-2-enoxy)-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 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The canonical SMILES for 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is C=CCOC1COc2ccccc2OCC(OCC=C)COc2ccccc2OC1.
What is the InChIKey of 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The InChIKey is FYLWDVFSZIKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c1-3-13-25-19-15-27-21-9-5-7-11-23(21)29-17-20(26-14-4-2)18-30-24-12-8-6-10-22(24)28-16-19/h3-12,19-20H,1-2,13-18H2.
What are the key properties of 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene has a molecular weight of 412.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-bis(prop-2-enoxy)-2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is sourced from PubChem (CID 3692606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).