trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium

C18H34O2P2+2 — CID 132502739

IUPACtrimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium
SMILESC[P+](C)(C)CCCOc1ccc(OCCC[P+](C)(C)C)cc1
InChIInChI=1S/C18H34O2P2/c1-21(2,3)15-7-13-19-17-9-11-18(12-10-17)20-14-8-16-22(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2
InChIKeyDLGCGBULDOXWTQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.04
Rot. Bonds10

About trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium

trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium (PubChem CID 132502739) has the molecular formula C18H34O2P2+2 and a molecular weight of 344.42 g/mol. Its IUPAC name is trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium
PubChem CID132502739
Molecular FormulaC18H34O2P2+2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametrimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium
SMILESC[P+](C)(C)CCCOc1ccc(OCCC[P+](C)(C)C)cc1
InChIInChI=1S/C18H34O2P2/c1-21(2,3)15-7-13-19-17-9-11-18(12-10-17)20-14-8-16-22(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2
InChIKeyDLGCGBULDOXWTQ-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-(4-methylphenoxy)pentane-2-thiol
CID 57005602
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
1,4-dipentoxybenzene
CID 18314717
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
1-iodo-4-(3-propan-2-ylsulfanylpropoxy)benzene
CID 2843535
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium?
The IUPAC name of trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium (CID 132502739) is trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium.
What is the SMILES notation for trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium?
The canonical SMILES for trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium is C[P+](C)(C)CCCOc1ccc(OCCC[P+](C)(C)C)cc1.
What is the InChIKey of trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium?
The InChIKey is DLGCGBULDOXWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2P2/c1-21(2,3)15-7-13-19-17-9-11-18(12-10-17)20-14-8-16-22(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2.
What are the key properties of trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium?
trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium has a molecular weight of 344.42 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium is sourced from PubChem (CID 132502739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).