1-hex-5-enylselanylnaphthalene

C16H18Se — CID 25140988

IUPAC1-hex-5-enylselanylnaphthalene
SMILESC=CCCCC[Se]c1cccc2ccccc12
InChIInChI=1S/C16H18Se/c1-2-3-4-7-13-17-16-12-8-10-14-9-5-6-11-15(14)16/h2,5-6,8-12H,1,3-4,7,13H2
InChIKeyMRMRCCCOJXTGDV-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.94
Rot. Bonds6

About 1-hex-5-enylselanylnaphthalene

1-hex-5-enylselanylnaphthalene (PubChem CID 25140988) has the molecular formula C16H18Se and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-hex-5-enylselanylnaphthalene.

Molecular Properties

Compound Name1-hex-5-enylselanylnaphthalene
PubChem CID25140988
Molecular FormulaC16H18Se
Molecular Weight289.28 g/mol
Exact Mass290.06
IUPAC Name1-hex-5-enylselanylnaphthalene
SMILESC=CCCCC[Se]c1cccc2ccccc12
InChIInChI=1S/C16H18Se/c1-2-3-4-7-13-17-16-12-8-10-14-9-5-6-11-15(14)16/h2,5-6,8-12H,1,3-4,7,13H2
InChIKeyMRMRCCCOJXTGDV-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.94
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-non-8-enylnaphthalene
CID 101304361
4-hex-5-enylisochromen-3-one
CID 10680863
1-phenylselanylnaphthalene
CID 11196823
1-methylselanylnaphthalene
CID 13334243
2-dodec-11-enylnaphthalene
CID 101307470
1,10-bis(hept-6-enyl)anthracene
CID 122392053
9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole
CID 102040847
1-pent-4-enylpyrrolo[1,2-a]quinoline
CID 11368341
6-hex-5-enoxynaphthalene-1-carboxylic acid
CID 57076344
hept-6-enylbenzene
CID 15608161
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
(1-pent-4-enylindol-7-yl)methanol
CID 102912127

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enylselanylnaphthalene?
The IUPAC name of 1-hex-5-enylselanylnaphthalene (CID 25140988) is 1-hex-5-enylselanylnaphthalene.
What is the SMILES notation for 1-hex-5-enylselanylnaphthalene?
The canonical SMILES for 1-hex-5-enylselanylnaphthalene is C=CCCCC[Se]c1cccc2ccccc12.
What is the InChIKey of 1-hex-5-enylselanylnaphthalene?
The InChIKey is MRMRCCCOJXTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Se/c1-2-3-4-7-13-17-16-12-8-10-14-9-5-6-11-15(14)16/h2,5-6,8-12H,1,3-4,7,13H2.
What are the key properties of 1-hex-5-enylselanylnaphthalene?
1-hex-5-enylselanylnaphthalene has a molecular weight of 289.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enylselanylnaphthalene is sourced from PubChem (CID 25140988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).