5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol

C17H14O5 — CID 122206413

IUPAC5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
SMILESOc1ccc2c(c1)OC1COc3cc4c(cc3C1C2)OCO4
InChIInChI=1S/C17H14O5/c18-10-2-1-9-3-11-12-5-15-16(21-8-20-15)6-14(12)19-7-17(11)22-13(9)4-10/h1-2,4-6,11,17-18H,3,7-8H2
InChIKeyIIZUUKGANLERSH-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.60
Rot. Bonds

About 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol

5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol (PubChem CID 122206413) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol.

Molecular Properties

Compound Name5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
PubChem CID122206413
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
SMILESOc1ccc2c(c1)OC1COc3cc4c(cc3C1C2)OCO4
InChIInChI=1S/C17H14O5/c18-10-2-1-9-3-11-12-5-15-16(21-8-20-15)6-14(12)19-7-17(11)22-13(9)4-10/h1-2,4-6,11,17-18H,3,7-8H2
InChIKeyIIZUUKGANLERSH-UHFFFAOYSA-N
XLogP2.60
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol?
The IUPAC name of 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol (CID 122206413) is 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol.
What is the SMILES notation for 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol?
The canonical SMILES for 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol is Oc1ccc2c(c1)OC1COc3cc4c(cc3C1C2)OCO4.
What is the InChIKey of 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol?
The InChIKey is IIZUUKGANLERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c18-10-2-1-9-3-11-12-5-15-16(21-8-20-15)6-14(12)19-7-17(11)22-13(9)4-10/h1-2,4-6,11,17-18H,3,7-8H2.
What are the key properties of 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol?
5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol has a molecular weight of 298.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol is sourced from PubChem (CID 122206413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).