2-hexylnaphthalene

C16H20 — CID 520390

IUPAC2-hexylnaphthalene
SMILESCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-5,8H2,1H3
InChIKeyZGHJVWFEQWVPTB-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.96
Rot. Bonds5

About 2-hexylnaphthalene

2-hexylnaphthalene (PubChem CID 520390) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-hexylnaphthalene.

Molecular Properties

Compound Name2-hexylnaphthalene
PubChem CID520390
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-hexylnaphthalene
SMILESCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-5,8H2,1H3
InChIKeyZGHJVWFEQWVPTB-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.96
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-hexylnaphthalene?
The IUPAC name of 2-hexylnaphthalene (CID 520390) is 2-hexylnaphthalene.
What is the SMILES notation for 2-hexylnaphthalene?
The canonical SMILES for 2-hexylnaphthalene is CCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-hexylnaphthalene?
The InChIKey is ZGHJVWFEQWVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-5,8H2,1H3.
What are the key properties of 2-hexylnaphthalene?
2-hexylnaphthalene has a molecular weight of 212.34 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylnaphthalene is sourced from PubChem (CID 520390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).