1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene

C18H28 — CID 71392483

IUPAC1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCC1CCC(CC)c2ccccc21
InChIInChI=1S/C18H28/c1-3-5-6-7-10-16-14-13-15(4-2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3
InChIKeyLWKBYDDGGFHLDI-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.03
Rot. Bonds6

About 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene

1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 71392483) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
PubChem CID71392483
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCC1CCC(CC)c2ccccc21
InChIInChI=1S/C18H28/c1-3-5-6-7-10-16-14-13-15(4-2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3
InChIKeyLWKBYDDGGFHLDI-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.03
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene (CID 71392483) is 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene is CCCCCCC1CCC(CC)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LWKBYDDGGFHLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-5-6-7-10-16-14-13-15(4-2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3.
What are the key properties of 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene?
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 244.42 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 71392483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).