17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

C24H26NO4+ — CID 70687580

IUPAC17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
SMILESCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2
InChIInChI=1S/C24H26NO4/c1-3-4-5-10-27-24-19-14-25-9-8-17-12-22-23(29-15-28-22)13-18(17)20(25)11-16(19)6-7-21(24)26-2/h6-7,11-14H,3-5,8-10,15H2,1-2H3/q+1
InChIKeyQPJKBABGLJDUQY-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.66
Rot. Bonds6

About 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene (PubChem CID 70687580) has the molecular formula C24H26NO4+ and a molecular weight of 392.48 g/mol. Its IUPAC name is 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene.

Molecular Properties

Compound Name17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
PubChem CID70687580
Molecular FormulaC24H26NO4+
Molecular Weight392.48 g/mol
Exact Mass392.19
IUPAC Name17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
SMILESCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2
InChIInChI=1S/C24H26NO4/c1-3-4-5-10-27-24-19-14-25-9-8-17-12-22-23(29-15-28-22)13-18(17)20(25)11-16(19)6-7-21(24)26-2/h6-7,11-14H,3-5,8-10,15H2,1-2H3/q+1
InChIKeyQPJKBABGLJDUQY-UHFFFAOYSA-N
XLogP4.66
TPSA40.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The IUPAC name of 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene (CID 70687580) is 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene.
What is the SMILES notation for 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The canonical SMILES for 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene is CCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.
What is the InChIKey of 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
The InChIKey is QPJKBABGLJDUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO4/c1-3-4-5-10-27-24-19-14-25-9-8-17-12-22-23(29-15-28-22)13-18(17)20(25)11-16(19)6-7-21(24)26-2/h6-7,11-14H,3-5,8-10,15H2,1-2H3/q+1.
What are the key properties of 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene?
17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene has a molecular weight of 392.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene is sourced from PubChem (CID 70687580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).