triheptyl(methyl)phosphanium

C22H48P+ — CID 87447401

IUPACtriheptyl(methyl)phosphanium
SMILESCCCCCCC[P+](C)(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H48P/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3/q+1
InChIKeyYCTXBDXNKPIPJQ-UHFFFAOYSA-N
MW343.60 g/mol
LogP8.55
Rot. Bonds18

About triheptyl(methyl)phosphanium

triheptyl(methyl)phosphanium (PubChem CID 87447401) has the molecular formula C22H48P+ and a molecular weight of 343.60 g/mol. Its IUPAC name is triheptyl(methyl)phosphanium.

Molecular Properties

Compound Nametriheptyl(methyl)phosphanium
PubChem CID87447401
Molecular FormulaC22H48P+
Molecular Weight343.60 g/mol
Exact Mass343.35
IUPAC Nametriheptyl(methyl)phosphanium
SMILESCCCCCCC[P+](C)(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H48P/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3/q+1
InChIKeyYCTXBDXNKPIPJQ-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trihexadecyl(methyl)phosphanium
CID 22750516
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
tributyl(methyl)phosphanium
CID 2760115
sulfuric acid;trihexyl(methyl)phosphanium
CID 118386562
decyl-dimethyl-nonylphosphanium
CID 87732648
tributyl(methyl)phosphanium iodide
CID 2760114
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
acetic acid;methyl(trioctyl)phosphanium;phosphane
CID 174424389
trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
ethyl(methyl)phosphinate;trihexyl(methyl)phosphanium
CID 90317907

Frequently Asked Questions

What is the IUPAC name of triheptyl(methyl)phosphanium?
The IUPAC name of triheptyl(methyl)phosphanium (CID 87447401) is triheptyl(methyl)phosphanium.
What is the SMILES notation for triheptyl(methyl)phosphanium?
The canonical SMILES for triheptyl(methyl)phosphanium is CCCCCCC[P+](C)(CCCCCCC)CCCCCCC.
What is the InChIKey of triheptyl(methyl)phosphanium?
The InChIKey is YCTXBDXNKPIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48P/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3/h5-22H2,1-4H3/q+1.
What are the key properties of triheptyl(methyl)phosphanium?
triheptyl(methyl)phosphanium has a molecular weight of 343.60 g/mol, XLogP of 8.55, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl(methyl)phosphanium is sourced from PubChem (CID 87447401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).