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

C60H88O4 — CID 10485827

IUPAC8,9,18,19-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C60H88O4/c1-5-9-13-17-21-25-29-37-45-61-57-49-53-41-33-34-43-55-51-59(63-47-39-31-27-23-19-15-11-7-3)60(64-48-40-32-28-24-20-16-12-8-4)52-56(55)44-36-35-42-54(53)50-58(57)62-46-38-30-26-22-18-14-10-6-2/h49-52H,5-32,37-40,45-48H2,1-4H3
InChIKeySWZDJXSGVUZMSG-UHFFFAOYSA-N
MW873.36 g/mol
LogP14.73
Rot. Bonds40

About 8,9,18,19-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (PubChem CID 10485827) has the molecular formula C60H88O4 and a molecular weight of 873.36 g/mol. Its IUPAC name is 8,9,18,19-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
PubChem CID10485827
Molecular FormulaC60H88O4
Molecular Weight873.36 g/mol
Exact Mass872.67
IUPAC Name8,9,18,19-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C60H88O4/c1-5-9-13-17-21-25-29-37-45-61-57-49-53-41-33-34-43-55-51-59(63-47-39-31-27-23-19-15-11-7-3)60(64-48-40-32-28-24-20-16-12-8-4)52-56(55)44-36-35-42-54(53)50-58(57)62-46-38-30-26-22-18-14-10-6-2/h49-52H,5-32,37-40,45-48H2,1-4H3
InChIKeySWZDJXSGVUZMSG-UHFFFAOYSA-N
XLogP14.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds40
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.36
LogP ≤ 514.73
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-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (CID 10485827) is 8,9,18,19-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene is CCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc1=C=C=C=C=2.
What is the InChIKey of 8,9,18,19-tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
The InChIKey is SWZDJXSGVUZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H88O4/c1-5-9-13-17-21-25-29-37-45-61-57-49-53-41-33-34-43-55-51-59(63-47-39-31-27-23-19-15-11-7-3)60(64-48-40-32-28-24-20-16-12-8-4)52-56(55)44-36-35-42-54(53)50-58(57)62-46-38-30-26-22-18-14-10-6-2/h49-52H,5-32,37-40,45-48H2,1-4H3.
What are the key properties of 8,9,18,19-tetrakis-decoxytricyclo[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-tetrakis-decoxytricyclo[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 873.36 g/mol, XLogP of 14.73, 40 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,18,19-tetrakis-decoxytricyclo[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 10485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).