2-decylnaphthalene

C20H28 — CID 518899

IUPAC2-decylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-12-18-15-16-19-13-10-11-14-20(19)17-18/h10-11,13-17H,2-9,12H2,1H3
InChIKeyMXUSAGLQYAWTMJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.52
Rot. Bonds9

About 2-decylnaphthalene

2-decylnaphthalene (PubChem CID 518899) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-decylnaphthalene.

Molecular Properties

Compound Name2-decylnaphthalene
PubChem CID518899
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name2-decylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-12-18-15-16-19-13-10-11-14-20(19)17-18/h10-11,13-17H,2-9,12H2,1H3
InChIKeyMXUSAGLQYAWTMJ-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'}

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128

Frequently Asked Questions

What is the IUPAC name of 2-decylnaphthalene?
The IUPAC name of 2-decylnaphthalene (CID 518899) is 2-decylnaphthalene.
What is the SMILES notation for 2-decylnaphthalene?
The canonical SMILES for 2-decylnaphthalene is CCCCCCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-decylnaphthalene?
The InChIKey is MXUSAGLQYAWTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-2-3-4-5-6-7-8-9-12-18-15-16-19-13-10-11-14-20(19)17-18/h10-11,13-17H,2-9,12H2,1H3.
What are the key properties of 2-decylnaphthalene?
2-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 2-decylnaphthalene is sourced from PubChem (CID 518899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).