4-hexyl-3,4-dihydro-2H-naphthalene-1-selone

C16H22Se — CID 141438474

IUPAC4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
SMILESCCCCCCC1CCC(=[Se])c2ccccc21
InChIInChI=1S/C16H22Se/c1-2-3-4-5-8-13-11-12-16(17)15-10-7-6-9-14(13)15/h6-7,9-10,13H,2-5,8,11-12H2,1H3
InChIKeyBAXKWGYYKAMLKX-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.22
Rot. Bonds5

About 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone

4-hexyl-3,4-dihydro-2H-naphthalene-1-selone (PubChem CID 141438474) has the molecular formula C16H22Se and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone.

Molecular Properties

Compound Name4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
PubChem CID141438474
Molecular FormulaC16H22Se
Molecular Weight293.31 g/mol
Exact Mass294.09
IUPAC Name4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
SMILESCCCCCCC1CCC(=[Se])c2ccccc21
InChIInChI=1S/C16H22Se/c1-2-3-4-5-8-13-11-12-16(17)15-10-7-6-9-14(13)15/h6-7,9-10,13H,2-5,8,11-12H2,1H3
InChIKeyBAXKWGYYKAMLKX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone?
The IUPAC name of 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone (CID 141438474) is 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone.
What is the SMILES notation for 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone?
The canonical SMILES for 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone is CCCCCCC1CCC(=[Se])c2ccccc21.
What is the InChIKey of 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone?
The InChIKey is BAXKWGYYKAMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Se/c1-2-3-4-5-8-13-11-12-16(17)15-10-7-6-9-14(13)15/h6-7,9-10,13H,2-5,8,11-12H2,1H3.
What are the key properties of 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone?
4-hexyl-3,4-dihydro-2H-naphthalene-1-selone has a molecular weight of 293.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-3,4-dihydro-2H-naphthalene-1-selone is sourced from PubChem (CID 141438474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).