bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane

C24H26BrP — CID 13026386

IUPACbromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
SMILESCC/C=C/CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c1-2-3-4-14-21-26(25,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/b4-3+
InChIKeyMTGAEJOYYXCXBM-ONEGZZNKSA-N
MW425.35 g/mol
LogP6.18
Rot. Bonds7

About bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane

bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane (PubChem CID 13026386) has the molecular formula C24H26BrP and a molecular weight of 425.35 g/mol. Its IUPAC name is bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
PubChem CID13026386
Molecular FormulaC24H26BrP
Molecular Weight425.35 g/mol
Exact Mass424.10
IUPAC Namebromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
SMILESCC/C=C/CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrP/c1-2-3-4-14-21-26(25,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/b4-3+
InChIKeyMTGAEJOYYXCXBM-ONEGZZNKSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
CID 14336617
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
methyl 6-[bromo(triphenyl)-λ5-phosphanyl]hex-2-enoate
CID 76714897
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione
CID 167880209
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
hex-3-enyl(triphenyl)phosphanium
CID 73026873

Frequently Asked Questions

What is the IUPAC name of bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane (CID 13026386) is bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane is CC/C=C/CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane?
The InChIKey is MTGAEJOYYXCXBM-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H26BrP/c1-2-3-4-14-21-26(25,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/b4-3+.
What are the key properties of bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane?
bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane has a molecular weight of 425.35 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13026386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).