8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene

C52H72O4 — CID 15528901

IUPAC8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCOc1cc2c(cc1OCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C52H72O4/c1-5-9-13-17-21-29-37-53-49-41-45-33-25-26-35-47-43-51(55-39-31-23-19-15-11-7-3)52(56-40-32-24-20-16-12-8-4)44-48(47)36-28-27-34-46(45)42-50(49)54-38-30-22-18-14-10-6-2/h41-44H,5-24,29-32,37-40H2,1-4H3
InChIKeyFMARJFONHZSHBC-UHFFFAOYSA-N
MW761.14 g/mol
LogP11.61
Rot. Bonds32

About 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene

8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (PubChem CID 15528901) has the molecular formula C52H72O4 and a molecular weight of 761.14 g/mol. Its IUPAC name is 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene.

Molecular Properties

Compound Name8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
PubChem CID15528901
Molecular FormulaC52H72O4
Molecular Weight761.14 g/mol
Exact Mass760.54
IUPAC Name8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCOc1cc2c(cc1OCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C52H72O4/c1-5-9-13-17-21-29-37-53-49-41-45-33-25-26-35-47-43-51(55-39-31-23-19-15-11-7-3)52(56-40-32-24-20-16-12-8-4)44-48(47)36-28-27-34-46(45)42-50(49)54-38-30-22-18-14-10-6-2/h41-44H,5-24,29-32,37-40H2,1-4H3
InChIKeyFMARJFONHZSHBC-UHFFFAOYSA-N
XLogP11.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.14
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
The IUPAC name of 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (CID 15528901) is 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene.
What is the SMILES notation for 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
The canonical SMILES for 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene is CCCCCCCCOc1cc2c(cc1OCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1=C=C=C=C=2.
What is the InChIKey of 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
The InChIKey is FMARJFONHZSHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72O4/c1-5-9-13-17-21-29-37-53-49-41-45-33-25-26-35-47-43-51(55-39-31-23-19-15-11-7-3)52(56-40-32-24-20-16-12-8-4)44-48(47)36-28-27-34-46(45)42-50(49)54-38-30-22-18-14-10-6-2/h41-44H,5-24,29-32,37-40H2,1-4H3.
What are the key properties of 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene has a molecular weight of 761.14 g/mol, XLogP of 11.61, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,18,19-tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene is sourced from PubChem (CID 15528901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).