chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane

C24H25ClIP — CID 171472311

IUPACchloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
SMILESClP(CC=CCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25ClIP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,13-19H,1,12,20-21H2
InChIKeyCTBLAFGQBSNSER-UHFFFAOYSA-N
MW506.80 g/mol
LogP6.44
Rot. Bonds8

About chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane

chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane (PubChem CID 171472311) has the molecular formula C24H25ClIP and a molecular weight of 506.80 g/mol. Its IUPAC name is chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
PubChem CID171472311
Molecular FormulaC24H25ClIP
Molecular Weight506.80 g/mol
Exact Mass506.04
IUPAC Namechloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
SMILESClP(CC=CCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25ClIP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,13-19H,1,12,20-21H2
InChIKeyCTBLAFGQBSNSER-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.80
LogP ≤ 56.44
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'}

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Related Compounds

chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
CID 171472172
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
chloro-pent-4-enyl-triphenyl-λ5-phosphane
CID 156636022
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738

Frequently Asked Questions

What is the IUPAC name of chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane (CID 171472311) is chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane is ClP(CC=CCCCI)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane?
The InChIKey is CTBLAFGQBSNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClIP/c25-27(21-13-2-1-12-20-26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,13-19H,1,12,20-21H2.
What are the key properties of chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane?
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane has a molecular weight of 506.80 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).