chloro-pent-4-enyl-triphenyl-λ5-phosphane

C23H24ClP — CID 156636022

IUPACchloro-pent-4-enyl-triphenyl-λ5-phosphane
SMILESC=CCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClP/c1-2-3-13-20-25(24,21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h2,4-12,14-19H,1,3,13,20H2
InChIKeyJGNFRUVULRCPRW-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.64
Rot. Bonds7

About chloro-pent-4-enyl-triphenyl-λ5-phosphane

chloro-pent-4-enyl-triphenyl-λ5-phosphane (PubChem CID 156636022) has the molecular formula C23H24ClP and a molecular weight of 366.87 g/mol. Its IUPAC name is chloro-pent-4-enyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-pent-4-enyl-triphenyl-λ5-phosphane
PubChem CID156636022
Molecular FormulaC23H24ClP
Molecular Weight366.87 g/mol
Exact Mass366.13
IUPAC Namechloro-pent-4-enyl-triphenyl-λ5-phosphane
SMILESC=CCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClP/c1-2-3-13-20-25(24,21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h2,4-12,14-19H,1,3,13,20H2
InChIKeyJGNFRUVULRCPRW-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-pent-4-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

3-[chloro(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 14735122
(3-but-3-enylphenyl)methyl-chloro-triphenyl-λ5-phosphane
CID 140777358
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
CID 171472311
hept-6-enylbenzene
CID 15608161
hex-1-ene;toluene
CID 22480689
chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
chloromethyl-pent-4-enyl-phenylsilane
CID 151394657
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
1-phenylhepta-1,6-dienylbenzene
CID 11021254

Frequently Asked Questions

What is the IUPAC name of chloro-pent-4-enyl-triphenyl-λ5-phosphane?
The IUPAC name of chloro-pent-4-enyl-triphenyl-λ5-phosphane (CID 156636022) is chloro-pent-4-enyl-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-pent-4-enyl-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-pent-4-enyl-triphenyl-λ5-phosphane is C=CCCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-pent-4-enyl-triphenyl-λ5-phosphane?
The InChIKey is JGNFRUVULRCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClP/c1-2-3-13-20-25(24,21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h2,4-12,14-19H,1,3,13,20H2.
What are the key properties of chloro-pent-4-enyl-triphenyl-λ5-phosphane?
chloro-pent-4-enyl-triphenyl-λ5-phosphane has a molecular weight of 366.87 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-pent-4-enyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 156636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).