1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene

C22H25Br — CID 162211606

IUPAC1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
SMILESBrCCCCC=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C12H15Br.C10H10/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h3-6,8-10H,1-2,7,11H2;3-8H,1-2H2
InChIKeyZSXLRWDOTFARNV-UHFFFAOYSA-N
MW369.35 g/mol
LogP7.24
Rot. Bonds7

About 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene

1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene (PubChem CID 162211606) has the molecular formula C22H25Br and a molecular weight of 369.35 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
PubChem CID162211606
Molecular FormulaC22H25Br
Molecular Weight369.35 g/mol
Exact Mass368.11
IUPAC Name1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
SMILESBrCCCCC=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C12H15Br.C10H10/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h3-6,8-10H,1-2,7,11H2;3-8H,1-2H2
InChIKeyZSXLRWDOTFARNV-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 57.24
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

[(E)-6-bromohex-1-enyl]benzene
CID 11172477
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
hex-1-enylbenzene;prop-1-ene
CID 157442084
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
(E)-9-phenylnon-8-en-1-ol
CID 10489025
5-bromopent-1-ene;styrene
CID 159724041
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
ethenyl 20-phenylicos-19-enoate
CID 141418818
5-cyclopropylpent-1-enylbenzene;styrene
CID 173204753
3-bromoprop-1-enylbenzene;prop-1-ene
CID 67394567

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene?
The IUPAC name of 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene (CID 162211606) is 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene is BrCCCCC=Cc1ccccc1.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene?
The InChIKey is ZSXLRWDOTFARNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br.C10H10/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;1-3-9-7-5-6-8-10(9)4-2/h3-6,8-10H,1-2,7,11H2;3-8H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene?
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene has a molecular weight of 369.35 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene is sourced from PubChem (CID 162211606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).