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

C68H104O4 — CID 100933949

IUPAC8,9,18,19-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C68H104O4/c1-5-9-13-17-21-25-29-33-37-45-53-69-65-57-61-49-41-42-51-63-59-67(71-55-47-39-35-31-27-23-19-15-11-7-3)68(72-56-48-40-36-32-28-24-20-16-12-8-4)60-64(63)52-44-43-50-62(61)58-66(65)70-54-46-38-34-30-26-22-18-14-10-6-2/h57-60H,5-40,45-48,53-56H2,1-4H3
InChIKeyUDFVDPQJQJEDJK-UHFFFAOYSA-N
MW985.58 g/mol
LogP17.85
Rot. Bonds48

About 8,9,18,19-tetradodecoxytricyclo[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-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (PubChem CID 100933949) has the molecular formula C68H104O4 and a molecular weight of 985.58 g/mol. Its IUPAC name is 8,9,18,19-tetradodecoxytricyclo[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-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
PubChem CID100933949
Molecular FormulaC68H104O4
Molecular Weight985.58 g/mol
Exact Mass984.79
IUPAC Name8,9,18,19-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
SMILESCCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1=C=C=C=C=2
InChIInChI=1S/C68H104O4/c1-5-9-13-17-21-25-29-33-37-45-53-69-65-57-61-49-41-42-51-63-59-67(71-55-47-39-35-31-27-23-19-15-11-7-3)68(72-56-48-40-36-32-28-24-20-16-12-8-4)60-64(63)52-44-43-50-62(61)58-66(65)70-54-46-38-34-30-26-22-18-14-10-6-2/h57-60H,5-40,45-48,53-56H2,1-4H3
InChIKeyUDFVDPQJQJEDJK-UHFFFAOYSA-N
XLogP17.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds48
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.58
LogP ≤ 517.85
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-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,9,18,19-tetradodecoxytricyclo[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-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene (CID 100933949) is 8,9,18,19-tetradodecoxytricyclo[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-tetradodecoxytricyclo[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-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene is CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)=C=C=C=C=c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1=C=C=C=C=2.
What is the InChIKey of 8,9,18,19-tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene?
The InChIKey is UDFVDPQJQJEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H104O4/c1-5-9-13-17-21-25-29-33-37-45-53-69-65-57-61-49-41-42-51-63-59-67(71-55-47-39-35-31-27-23-19-15-11-7-3)68(72-56-48-40-36-32-28-24-20-16-12-8-4)60-64(63)52-44-43-50-62(61)58-66(65)70-54-46-38-34-30-26-22-18-14-10-6-2/h57-60H,5-40,45-48,53-56H2,1-4H3.
What are the key properties of 8,9,18,19-tetradodecoxytricyclo[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-tetradodecoxytricyclo[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 985.58 g/mol, XLogP of 17.85, 48 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,18,19-tetradodecoxytricyclo[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 100933949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).