bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane

C25H27BrClP — CID 171472329

IUPACbromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
SMILESClCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27BrClP/c26-28(23-15-7-4-8-16-23,24-17-9-5-10-18-24,25-19-11-6-12-20-25)22-14-3-1-2-13-21-27/h3-12,14-20H,1-2,13,21-22H2
InChIKeySDKQCLYEHQPUEU-UHFFFAOYSA-N
MW473.82 g/mol
LogP6.79
Rot. Bonds9

About bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane

bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane (PubChem CID 171472329) has the molecular formula C25H27BrClP and a molecular weight of 473.82 g/mol. Its IUPAC name is bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
PubChem CID171472329
Molecular FormulaC25H27BrClP
Molecular Weight473.82 g/mol
Exact Mass472.07
IUPAC Namebromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
SMILESClCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27BrClP/c26-28(23-15-7-4-8-16-23,24-17-9-5-10-18-24,25-19-11-6-12-20-25)22-14-3-1-2-13-21-27/h3-12,14-20H,1-2,13,21-22H2
InChIKeySDKQCLYEHQPUEU-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.82
LogP ≤ 56.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
CID 171472172
chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697
(E)-1,10-dichlorodec-5-ene
CID 12889943
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
CID 171472311
1,17-dichloroheptadec-8-ene
CID 168864753
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
CID 13026386

Frequently Asked Questions

What is the IUPAC name of bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane (CID 171472329) is bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane is ClCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane?
The InChIKey is SDKQCLYEHQPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrClP/c26-28(23-15-7-4-8-16-23,24-17-9-5-10-18-24,25-19-11-6-12-20-25)22-14-3-1-2-13-21-27/h3-12,14-20H,1-2,13,21-22H2.
What are the key properties of bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane?
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane has a molecular weight of 473.82 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).