benzene;dihexoxy(oxo)phosphanium

C18H32O3P+ — CID 19391965

IUPACbenzene;dihexoxy(oxo)phosphanium
SMILESCCCCCCO[P+](=O)OCCCCCC.c1ccccc1
InChIInChI=1S/C12H26O3P.C6H6/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;1-2-4-6-5-3-1/h3-12H2,1-2H3;1-6H/q+1;
InChIKeyAVVLKIXXNAGDIO-UHFFFAOYSA-N
MW327.42 g/mol
LogP6.52
Rot. Bonds12

About benzene;dihexoxy(oxo)phosphanium

benzene;dihexoxy(oxo)phosphanium (PubChem CID 19391965) has the molecular formula C18H32O3P+ and a molecular weight of 327.42 g/mol. Its IUPAC name is benzene;dihexoxy(oxo)phosphanium.

Molecular Properties

Compound Namebenzene;dihexoxy(oxo)phosphanium
PubChem CID19391965
Molecular FormulaC18H32O3P+
Molecular Weight327.42 g/mol
Exact Mass327.21
IUPAC Namebenzene;dihexoxy(oxo)phosphanium
SMILESCCCCCCO[P+](=O)OCCCCCC.c1ccccc1
InChIInChI=1S/C12H26O3P.C6H6/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;1-2-4-6-5-3-1/h3-12H2,1-2H3;1-6H/q+1;
InChIKeyAVVLKIXXNAGDIO-UHFFFAOYSA-N
XLogP6.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 56.52
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

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
oxo(dipentoxy)phosphanium;zinc
CID 157360735
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
oxo-phenoxy-undecoxyphosphanium
CID 67392956
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096

Frequently Asked Questions

What is the IUPAC name of benzene;dihexoxy(oxo)phosphanium?
The IUPAC name of benzene;dihexoxy(oxo)phosphanium (CID 19391965) is benzene;dihexoxy(oxo)phosphanium.
What is the SMILES notation for benzene;dihexoxy(oxo)phosphanium?
The canonical SMILES for benzene;dihexoxy(oxo)phosphanium is CCCCCCO[P+](=O)OCCCCCC.c1ccccc1.
What is the InChIKey of benzene;dihexoxy(oxo)phosphanium?
The InChIKey is AVVLKIXXNAGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3P.C6H6/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;1-2-4-6-5-3-1/h3-12H2,1-2H3;1-6H/q+1;.
What are the key properties of benzene;dihexoxy(oxo)phosphanium?
benzene;dihexoxy(oxo)phosphanium has a molecular weight of 327.42 g/mol, XLogP of 6.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dihexoxy(oxo)phosphanium is sourced from PubChem (CID 19391965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).