9-chloronon-2-enyl(triphenyl)phosphanium chloride

C27H31Cl2P — CID 174231324

IUPAC9-chloronon-2-enyl(triphenyl)phosphanium chloride
SMILESClCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H31ClP.ClH/c28-23-15-4-2-1-3-5-16-24-29(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h5-14,16-22H,1-4,15,23-24H2;1H/q+1;/p-1
InChIKeyAOTVWNUEDNBXFF-UHFFFAOYSA-M
MW457.43 g/mol
LogP3.73
Rot. Bonds11

About 9-chloronon-2-enyl(triphenyl)phosphanium chloride

9-chloronon-2-enyl(triphenyl)phosphanium chloride (PubChem CID 174231324) has the molecular formula C27H31Cl2P and a molecular weight of 457.43 g/mol. Its IUPAC name is 9-chloronon-2-enyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name9-chloronon-2-enyl(triphenyl)phosphanium chloride
PubChem CID174231324
Molecular FormulaC27H31Cl2P
Molecular Weight457.43 g/mol
Exact Mass456.15
IUPAC Name9-chloronon-2-enyl(triphenyl)phosphanium chloride
SMILESClCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H31ClP.ClH/c28-23-15-4-2-1-3-5-16-24-29(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h5-14,16-22H,1-4,15,23-24H2;1H/q+1;/p-1
InChIKeyAOTVWNUEDNBXFF-UHFFFAOYSA-M
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 53.73
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

6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
11-chloroundec-2-enyl-iodo-triphenyl-λ5-phosphane
CID 171472226
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
1,17-dichloroheptadec-8-ene
CID 168864753

Frequently Asked Questions

What is the IUPAC name of 9-chloronon-2-enyl(triphenyl)phosphanium chloride?
The IUPAC name of 9-chloronon-2-enyl(triphenyl)phosphanium chloride (CID 174231324) is 9-chloronon-2-enyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 9-chloronon-2-enyl(triphenyl)phosphanium chloride?
The canonical SMILES for 9-chloronon-2-enyl(triphenyl)phosphanium chloride is ClCCCCCCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 9-chloronon-2-enyl(triphenyl)phosphanium chloride?
The InChIKey is AOTVWNUEDNBXFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H31ClP.ClH/c28-23-15-4-2-1-3-5-16-24-29(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h5-14,16-22H,1-4,15,23-24H2;1H/q+1;/p-1.
What are the key properties of 9-chloronon-2-enyl(triphenyl)phosphanium chloride?
9-chloronon-2-enyl(triphenyl)phosphanium chloride has a molecular weight of 457.43 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloronon-2-enyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 174231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).