dimethyl-di(tetradecyl)phosphanium

C30H64P+ — CID 21249614

IUPACdimethyl-di(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C30H64P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1
InChIKeyBKJAZEBAMBWYCR-UHFFFAOYSA-N
MW455.82 g/mol
LogP11.67
Rot. Bonds26

About dimethyl-di(tetradecyl)phosphanium

dimethyl-di(tetradecyl)phosphanium (PubChem CID 21249614) has the molecular formula C30H64P+ and a molecular weight of 455.82 g/mol. Its IUPAC name is dimethyl-di(tetradecyl)phosphanium.

Molecular Properties

Compound Namedimethyl-di(tetradecyl)phosphanium
PubChem CID21249614
Molecular FormulaC30H64P+
Molecular Weight455.82 g/mol
Exact Mass455.47
IUPAC Namedimethyl-di(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C30H64P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1
InChIKeyBKJAZEBAMBWYCR-UHFFFAOYSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.82
LogP ≤ 511.67
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-di(tetradecyl)phosphanium?
The IUPAC name of dimethyl-di(tetradecyl)phosphanium (CID 21249614) is dimethyl-di(tetradecyl)phosphanium.
What is the SMILES notation for dimethyl-di(tetradecyl)phosphanium?
The canonical SMILES for dimethyl-di(tetradecyl)phosphanium is CCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-di(tetradecyl)phosphanium?
The InChIKey is BKJAZEBAMBWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1.
What are the key properties of dimethyl-di(tetradecyl)phosphanium?
dimethyl-di(tetradecyl)phosphanium has a molecular weight of 455.82 g/mol, XLogP of 11.67, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-di(tetradecyl)phosphanium is sourced from PubChem (CID 21249614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).