3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium

C34H73O3P2+ — CID 10580713

IUPAC3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium
SMILESCCCCCCCCCCCCCCOP(=O)(CCC[P+](C)(C)C)OCCCCCCCCCCCCCC
InChIInChI=1S/C34H73O3P2/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-36-39(35,34-30-33-38(3,4)5)37-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-34H2,1-5H3/q+1
InChIKeyAFOGYHJEQVVKMW-UHFFFAOYSA-N
MW591.90 g/mol
LogP12.91
Rot. Bonds32

About 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium

3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium (PubChem CID 10580713) has the molecular formula C34H73O3P2+ and a molecular weight of 591.90 g/mol. Its IUPAC name is 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium.

Molecular Properties

Compound Name3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium
PubChem CID10580713
Molecular FormulaC34H73O3P2+
Molecular Weight591.90 g/mol
Exact Mass591.50
IUPAC Name3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium
SMILESCCCCCCCCCCCCCCOP(=O)(CCC[P+](C)(C)C)OCCCCCCCCCCCCCC
InChIInChI=1S/C34H73O3P2/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-36-39(35,34-30-33-38(3,4)5)37-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-34H2,1-5H3/q+1
InChIKeyAFOGYHJEQVVKMW-UHFFFAOYSA-N
XLogP12.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.90
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
2-bis[(Z)-octadec-9-enoxy]phosphorylethyl-trimethylphosphanium
CID 10605415
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510

Frequently Asked Questions

What is the IUPAC name of 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium?
The IUPAC name of 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium (CID 10580713) is 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium.
What is the SMILES notation for 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium?
The canonical SMILES for 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium is CCCCCCCCCCCCCCOP(=O)(CCC[P+](C)(C)C)OCCCCCCCCCCCCCC.
What is the InChIKey of 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium?
The InChIKey is AFOGYHJEQVVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H73O3P2/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-36-39(35,34-30-33-38(3,4)5)37-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-34H2,1-5H3/q+1.
What are the key properties of 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium?
3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium has a molecular weight of 591.90 g/mol, XLogP of 12.91, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium is sourced from PubChem (CID 10580713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).