1-bromo-2-oct-1-enylbenzene

C14H19Br — CID 54357749

IUPAC1-bromo-2-oct-1-enylbenzene
SMILESCCCCCCC=Cc1ccccc1Br
InChIInChI=1S/C14H19Br/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3
InChIKeyUKHUYFAIEDCIET-UHFFFAOYSA-N
MW267.21 g/mol
LogP5.43
Rot. Bonds6

About 1-bromo-2-oct-1-enylbenzene

1-bromo-2-oct-1-enylbenzene (PubChem CID 54357749) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-bromo-2-oct-1-enylbenzene.

Molecular Properties

Compound Name1-bromo-2-oct-1-enylbenzene
PubChem CID54357749
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-bromo-2-oct-1-enylbenzene
SMILESCCCCCCC=Cc1ccccc1Br
InChIInChI=1S/C14H19Br/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3
InChIKeyUKHUYFAIEDCIET-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.21
LogP ≤ 55.43
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

1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
CID 67418150
CID 173281821
CID 173281821
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
3-dec-1-enylbenzene-1,2-diol
CID 139606028
1-[2-[(E)-dec-1-enyl]phenyl]ethanone
CID 11108026
[(E)-octadec-1-enyl]benzene
CID 22722345
2-methyl-3-pentadec-1-enylphenol
CID 69052424
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-oct-1-enylbenzene?
The IUPAC name of 1-bromo-2-oct-1-enylbenzene (CID 54357749) is 1-bromo-2-oct-1-enylbenzene.
What is the SMILES notation for 1-bromo-2-oct-1-enylbenzene?
The canonical SMILES for 1-bromo-2-oct-1-enylbenzene is CCCCCCC=Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-oct-1-enylbenzene?
The InChIKey is UKHUYFAIEDCIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h7-12H,2-6H2,1H3.
What are the key properties of 1-bromo-2-oct-1-enylbenzene?
1-bromo-2-oct-1-enylbenzene has a molecular weight of 267.21 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-oct-1-enylbenzene is sourced from PubChem (CID 54357749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).