1-(5-bromopentyl)-4-ethenylnaphthalene

C17H19Br — CID 139944501

IUPAC1-(5-bromopentyl)-4-ethenylnaphthalene
SMILESC=Cc1ccc(CCCCCBr)c2ccccc12
InChIInChI=1S/C17H19Br/c1-2-14-11-12-15(8-4-3-7-13-18)17-10-6-5-9-16(14)17/h2,5-6,9-12H,1,3-4,7-8,13H2
InChIKeyWBHSGYMPPZMCQB-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.59
Rot. Bonds6

About 1-(5-bromopentyl)-4-ethenylnaphthalene

1-(5-bromopentyl)-4-ethenylnaphthalene (PubChem CID 139944501) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-(5-bromopentyl)-4-ethenylnaphthalene.

Molecular Properties

Compound Name1-(5-bromopentyl)-4-ethenylnaphthalene
PubChem CID139944501
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-(5-bromopentyl)-4-ethenylnaphthalene
SMILESC=Cc1ccc(CCCCCBr)c2ccccc12
InChIInChI=1S/C17H19Br/c1-2-14-11-12-15(8-4-3-7-13-18)17-10-6-5-9-16(14)17/h2,5-6,9-12H,1,3-4,7-8,13H2
InChIKeyWBHSGYMPPZMCQB-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
CID 101016058
2-(7-bromoheptyl)benzaldehyde
CID 15617526
1-ethenyl-4-(phenoxymethyl)naphthalene
CID 22172419
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
methyl (E)-3-[4-[5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]pentyl]naphthalen-1-yl]prop-2-enoate
CID 15467784
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
1-hexyl-4-propylnaphthalene
CID 173269452
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
CID 162211606

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)-4-ethenylnaphthalene?
The IUPAC name of 1-(5-bromopentyl)-4-ethenylnaphthalene (CID 139944501) is 1-(5-bromopentyl)-4-ethenylnaphthalene.
What is the SMILES notation for 1-(5-bromopentyl)-4-ethenylnaphthalene?
The canonical SMILES for 1-(5-bromopentyl)-4-ethenylnaphthalene is C=Cc1ccc(CCCCCBr)c2ccccc12.
What is the InChIKey of 1-(5-bromopentyl)-4-ethenylnaphthalene?
The InChIKey is WBHSGYMPPZMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-2-14-11-12-15(8-4-3-7-13-18)17-10-6-5-9-16(14)17/h2,5-6,9-12H,1,3-4,7-8,13H2.
What are the key properties of 1-(5-bromopentyl)-4-ethenylnaphthalene?
1-(5-bromopentyl)-4-ethenylnaphthalene has a molecular weight of 303.24 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-4-ethenylnaphthalene is sourced from PubChem (CID 139944501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).