1-decylnaphthalene

C20H28 — CID 4526742

IUPAC1-decylnaphthalene
SMILESCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-13-18-15-12-16-19-14-10-11-17-20(18)19/h10-12,14-17H,2-9,13H2,1H3
InChIKeyGDBCGGFNFKMPAE-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.52
Rot. Bonds9

About 1-decylnaphthalene

1-decylnaphthalene (PubChem CID 4526742) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-decylnaphthalene.

Molecular Properties

Compound Name1-decylnaphthalene
PubChem CID4526742
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-decylnaphthalene
SMILESCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-13-18-15-12-16-19-14-10-11-17-20(18)19/h10-12,14-17H,2-9,13H2,1H3
InChIKeyGDBCGGFNFKMPAE-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-decylnaphthalene 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-decylnaphthalene?
The IUPAC name of 1-decylnaphthalene (CID 4526742) is 1-decylnaphthalene.
What is the SMILES notation for 1-decylnaphthalene?
The canonical SMILES for 1-decylnaphthalene is CCCCCCCCCCc1cccc2ccccc12.
What is the InChIKey of 1-decylnaphthalene?
The InChIKey is GDBCGGFNFKMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-13-18-15-12-16-19-14-10-11-17-20(18)19/h10-12,14-17H,2-9,13H2,1H3.
What are the key properties of 1-decylnaphthalene?
1-decylnaphthalene has a molecular weight of 268.44 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylnaphthalene is sourced from PubChem (CID 4526742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).