1-hexyl-4-propylnaphthalene

C19H26 — CID 173269452

IUPAC1-hexyl-4-propylnaphthalene
SMILESCCCCCCc1ccc(CCC)c2ccccc12
InChIInChI=1S/C19H26/c1-3-5-6-7-11-17-15-14-16(10-4-2)18-12-8-9-13-19(17)18/h8-9,12-15H,3-7,10-11H2,1-2H3
InChIKeyJLGWWCTZLNXCFW-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.92
Rot. Bonds7

About 1-hexyl-4-propylnaphthalene

1-hexyl-4-propylnaphthalene (PubChem CID 173269452) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-hexyl-4-propylnaphthalene.

Molecular Properties

Compound Name1-hexyl-4-propylnaphthalene
PubChem CID173269452
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-hexyl-4-propylnaphthalene
SMILESCCCCCCc1ccc(CCC)c2ccccc12
InChIInChI=1S/C19H26/c1-3-5-6-7-11-17-15-14-16(10-4-2)18-12-8-9-13-19(17)18/h8-9,12-15H,3-7,10-11H2,1-2H3
InChIKeyJLGWWCTZLNXCFW-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.92
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

1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
1-tetradecylnaphthalene
CID 14402128
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
2-hexyl-1-propylnaphthalene
CID 173300538
1-(4-hexylnaphthalen-1-yl)ethanone
CID 125472643
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-propylnaphthalene?
The IUPAC name of 1-hexyl-4-propylnaphthalene (CID 173269452) is 1-hexyl-4-propylnaphthalene.
What is the SMILES notation for 1-hexyl-4-propylnaphthalene?
The canonical SMILES for 1-hexyl-4-propylnaphthalene is CCCCCCc1ccc(CCC)c2ccccc12.
What is the InChIKey of 1-hexyl-4-propylnaphthalene?
The InChIKey is JLGWWCTZLNXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-3-5-6-7-11-17-15-14-16(10-4-2)18-12-8-9-13-19(17)18/h8-9,12-15H,3-7,10-11H2,1-2H3.
What are the key properties of 1-hexyl-4-propylnaphthalene?
1-hexyl-4-propylnaphthalene has a molecular weight of 254.42 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-propylnaphthalene is sourced from PubChem (CID 173269452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).