1,4,4a,5,5a,6,11,12a-octahydrotetracene

C18H20 — CID 59125009

IUPAC1,4,4a,5,5a,6,11,12a-octahydrotetracene
SMILESC1=CCC2CC3Cc4ccccc4CC3=CC2C1
InChIInChI=1S/C18H20/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-6,11,15-16,18H,7-10,12H2
InChIKeyYPSQXAXTJGTGOI-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.31
Rot. Bonds

About 1,4,4a,5,5a,6,11,12a-octahydrotetracene

1,4,4a,5,5a,6,11,12a-octahydrotetracene (PubChem CID 59125009) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,4,4a,5,5a,6,11,12a-octahydrotetracene.

Molecular Properties

Compound Name1,4,4a,5,5a,6,11,12a-octahydrotetracene
PubChem CID59125009
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,4,4a,5,5a,6,11,12a-octahydrotetracene
SMILESC1=CCC2CC3Cc4ccccc4CC3=CC2C1
InChIInChI=1S/C18H20/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-6,11,15-16,18H,7-10,12H2
InChIKeyYPSQXAXTJGTGOI-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4,4a,5,5a,6,11,12a-octahydrotetracene 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 1,4,4a,5,5a,6,11,12a-octahydrotetracene?
The IUPAC name of 1,4,4a,5,5a,6,11,12a-octahydrotetracene (CID 59125009) is 1,4,4a,5,5a,6,11,12a-octahydrotetracene.
What is the SMILES notation for 1,4,4a,5,5a,6,11,12a-octahydrotetracene?
The canonical SMILES for 1,4,4a,5,5a,6,11,12a-octahydrotetracene is C1=CCC2CC3Cc4ccccc4CC3=CC2C1.
What is the InChIKey of 1,4,4a,5,5a,6,11,12a-octahydrotetracene?
The InChIKey is YPSQXAXTJGTGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-6,11,15-16,18H,7-10,12H2.
What are the key properties of 1,4,4a,5,5a,6,11,12a-octahydrotetracene?
1,4,4a,5,5a,6,11,12a-octahydrotetracene has a molecular weight of 236.36 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,5a,6,11,12a-octahydrotetracene is sourced from PubChem (CID 59125009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).