1-icosylnaphthalene

C30H48 — CID 14343960

IUPAC1-icosylnaphthalene
SMILESCCCCCCCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h20-22,24-27H,2-19,23H2,1H3
InChIKeyZHGIKBCGOGBDFG-UHFFFAOYSA-N
MW408.71 g/mol
LogP10.42
Rot. Bonds19

About 1-icosylnaphthalene

1-icosylnaphthalene (PubChem CID 14343960) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-icosylnaphthalene.

Molecular Properties

Compound Name1-icosylnaphthalene
PubChem CID14343960
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1-icosylnaphthalene
SMILESCCCCCCCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h20-22,24-27H,2-19,23H2,1H3
InChIKeyZHGIKBCGOGBDFG-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-icosylnaphthalene 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-icosylnaphthalene?
The IUPAC name of 1-icosylnaphthalene (CID 14343960) is 1-icosylnaphthalene.
What is the SMILES notation for 1-icosylnaphthalene?
The canonical SMILES for 1-icosylnaphthalene is CCCCCCCCCCCCCCCCCCCCc1cccc2ccccc12.
What is the InChIKey of 1-icosylnaphthalene?
The InChIKey is ZHGIKBCGOGBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h20-22,24-27H,2-19,23H2,1H3.
What are the key properties of 1-icosylnaphthalene?
1-icosylnaphthalene has a molecular weight of 408.71 g/mol, XLogP of 10.42, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosylnaphthalene is sourced from PubChem (CID 14343960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).