1-bromo-4-[(E)-dec-1-enyl]benzene

C16H23Br — CID 102523301

IUPAC1-bromo-4-[(E)-dec-1-enyl]benzene
SMILESCCCCCCCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H23Br/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h9-14H,2-8H2,1H3/b10-9+
InChIKeyOHXKTYSBSVSVHX-MDZDMXLPSA-N
MW295.26 g/mol
LogP6.21
Rot. Bonds8

About 1-bromo-4-[(E)-dec-1-enyl]benzene

1-bromo-4-[(E)-dec-1-enyl]benzene (PubChem CID 102523301) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-bromo-4-[(E)-dec-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-dec-1-enyl]benzene
PubChem CID102523301
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name1-bromo-4-[(E)-dec-1-enyl]benzene
SMILESCCCCCCCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H23Br/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h9-14H,2-8H2,1H3/b10-9+
InChIKeyOHXKTYSBSVSVHX-MDZDMXLPSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 56.21
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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4-[(Z)-oct-1-enyl]benzonitrile
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4-[(1E,5E)-undeca-1,5-dienyl]phenol
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CID 101050911
4-[(E)-non-1-enyl]benzoic acid
CID 19834795
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CID 101261790
oct-1-enylbenzene;phosphoric acid
CID 159316508
2-[(E)-docos-1-enyl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-dec-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-dec-1-enyl]benzene (CID 102523301) is 1-bromo-4-[(E)-dec-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-dec-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-dec-1-enyl]benzene is CCCCCCCC/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-dec-1-enyl]benzene?
The InChIKey is OHXKTYSBSVSVHX-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H23Br/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h9-14H,2-8H2,1H3/b10-9+.
What are the key properties of 1-bromo-4-[(E)-dec-1-enyl]benzene?
1-bromo-4-[(E)-dec-1-enyl]benzene has a molecular weight of 295.26 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-dec-1-enyl]benzene is sourced from PubChem (CID 102523301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).