chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane

C30H37Cl2P — CID 171472172

IUPACchloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
SMILESClCCCCCCCCCC=CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37Cl2P/c31-26-18-7-5-3-1-2-4-6-8-19-27-33(32,28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2
InChIKeyQYJQYOZPGDZEOO-UHFFFAOYSA-N
MW499.51 g/mol
LogP8.59
Rot. Bonds14

About chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane

chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane (PubChem CID 171472172) has the molecular formula C30H37Cl2P and a molecular weight of 499.51 g/mol. Its IUPAC name is chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
PubChem CID171472172
Molecular FormulaC30H37Cl2P
Molecular Weight499.51 g/mol
Exact Mass498.20
IUPAC Namechloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane
SMILESClCCCCCCCCCC=CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37Cl2P/c31-26-18-7-5-3-1-2-4-6-8-19-27-33(32,28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2
InChIKeyQYJQYOZPGDZEOO-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 58.59
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'}

Analyze chloro-(12-chlorododec-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

chloro-(11-chloroundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472179
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
chloro-(6-iodohex-2-enyl)-triphenyl-λ5-phosphane
CID 171472311
bromo-(7-chlorohept-2-enyl)-triphenyl-λ5-phosphane
CID 171472329
1,17-dichloroheptadec-8-ene
CID 168864753
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
(E)-1,10-dichlorodec-5-ene
CID 12889943
bromo-(11-iodoundec-2-enyl)-triphenyl-λ5-phosphane
CID 171472229
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
1,12-dichlorododec-2-ene
CID 171472140

Frequently Asked Questions

What is the IUPAC name of chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane (CID 171472172) is chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane is ClCCCCCCCCCC=CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane?
The InChIKey is QYJQYOZPGDZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37Cl2P/c31-26-18-7-5-3-1-2-4-6-8-19-27-33(32,28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h8-17,19-25H,1-7,18,26-27H2.
What are the key properties of chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane?
chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane has a molecular weight of 499.51 g/mol, XLogP of 8.59, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(12-chlorododec-2-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).