dimethyl phosphate;tetrapropylphosphanium

C14H34O4P2 — CID 87475978

IUPACdimethyl phosphate;tetrapropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCC.COP(=O)([O-])OC
InChIInChI=1S/C12H28P.C2H7O4P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-5-7(3,4)6-2/h5-12H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKeyYUHUPBPHSQLQPV-UHFFFAOYSA-M
MW328.37 g/mol
LogP4.39
Rot. Bonds10

About dimethyl phosphate;tetrapropylphosphanium

dimethyl phosphate;tetrapropylphosphanium (PubChem CID 87475978) has the molecular formula C14H34O4P2 and a molecular weight of 328.37 g/mol. Its IUPAC name is dimethyl phosphate;tetrapropylphosphanium.

Molecular Properties

Compound Namedimethyl phosphate;tetrapropylphosphanium
PubChem CID87475978
Molecular FormulaC14H34O4P2
Molecular Weight328.37 g/mol
Exact Mass328.19
IUPAC Namedimethyl phosphate;tetrapropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCC.COP(=O)([O-])OC
InChIInChI=1S/C12H28P.C2H7O4P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-5-7(3,4)6-2/h5-12H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKeyYUHUPBPHSQLQPV-UHFFFAOYSA-M
XLogP4.39
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dimethyl phosphate;tributyl(dodecyl)phosphanium
CID 160807591
dimethyl phosphate;triethyl(octyl)phosphanium
CID 87571418
ethyl methyl phosphate;tetrapentylphosphanium
CID 89312416
phosphanium dimethyl phosphate
CID 118555188
barium(2+);bis(dimethyl phosphate)
CID 3835926
tetrapropylphosphanium fluoride
CID 23053641
boranuide;tetrapropylphosphanium
CID 14746814
tetrapropylphosphanium bromide
CID 11011483
dimethyl phosphate;1-[methoxy(oxido)phosphoryl]oxypropyl methyl phosphate;sulfanylidenephosphane
CID 157095571
sodium ethyl methyl phosphate
CID 134607083
heptyl methyl phosphate
CID 22497569
aminomethyl methyl phosphate
CID 123377325

Frequently Asked Questions

What is the IUPAC name of dimethyl phosphate;tetrapropylphosphanium?
The IUPAC name of dimethyl phosphate;tetrapropylphosphanium (CID 87475978) is dimethyl phosphate;tetrapropylphosphanium.
What is the SMILES notation for dimethyl phosphate;tetrapropylphosphanium?
The canonical SMILES for dimethyl phosphate;tetrapropylphosphanium is CCC[P+](CCC)(CCC)CCC.COP(=O)([O-])OC.
What is the InChIKey of dimethyl phosphate;tetrapropylphosphanium?
The InChIKey is YUHUPBPHSQLQPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28P.C2H7O4P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-5-7(3,4)6-2/h5-12H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1.
What are the key properties of dimethyl phosphate;tetrapropylphosphanium?
dimethyl phosphate;tetrapropylphosphanium has a molecular weight of 328.37 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl phosphate;tetrapropylphosphanium is sourced from PubChem (CID 87475978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).