bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane

C29H35BrIP — CID 171472229

IUPACbromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
SMILESBrP(CC=CCCCCCCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35BrIP/c30-32(27-19-11-8-12-20-27,28-21-13-9-14-22-28,29-23-15-10-16-24-29)26-18-7-5-3-1-2-4-6-17-25-31/h7-16,18-24H,1-6,17,25-26H2
InChIKeyYQCDWRSKTDFVAJ-UHFFFAOYSA-N
MW621.38 g/mol
LogP8.55
Rot. Bonds13

About bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane

bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane (PubChem CID 171472229) has the molecular formula C29H35BrIP and a molecular weight of 621.38 g/mol. Its IUPAC name is bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
PubChem CID171472229
Molecular FormulaC29H35BrIP
Molecular Weight621.38 g/mol
Exact Mass620.07
IUPAC Namebromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
SMILESBrP(CC=CCCCCCCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35BrIP/c30-32(27-19-11-8-12-20-27,28-21-13-9-14-22-28,29-23-15-10-16-24-29)26-18-7-5-3-1-2-4-6-17-25-31/h7-16,18-24H,1-6,17,25-26H2
InChIKeyYQCDWRSKTDFVAJ-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.38
LogP ≤ 58.55
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
CID 171472311
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
CID 171472172
chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697
bromo-[(E)-hex-3-enyl]-triphenyl-lambda5-phosphane
CID 13026386
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
(E)-12-iodododec-3-en-1-ol
CID 163205046

Frequently Asked Questions

What is the IUPAC name of bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane (CID 171472229) is bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane is BrP(CC=CCCCCCCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane?
The InChIKey is YQCDWRSKTDFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BrIP/c30-32(27-19-11-8-12-20-27,28-21-13-9-14-22-28,29-23-15-10-16-24-29)26-18-7-5-3-1-2-4-6-17-25-31/h7-16,18-24H,1-6,17,25-26H2.
What are the key properties of bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane?
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane has a molecular weight of 621.38 g/mol, XLogP of 8.55, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).