propyl phosphate;bis(tetramethylphosphanium)

C11H31O4P3 — CID 87474534

IUPACpropyl phosphate;bis(tetramethylphosphanium)
SMILESCCCOP(=O)([O-])[O-].C[P+](C)(C)C.C[P+](C)(C)C
InChIInChI=1S/2C4H12P.C3H9O4P/c2*1-5(2,3)4;1-2-3-7-8(4,5)6/h2*1-4H3;2-3H2,1H3,(H2,4,5,6)/q2*+1;/p-2
InChIKeyBLPSRCXZTFTEKC-UHFFFAOYSA-L
MW320.29 g/mol
LogP2.29
Rot. Bonds3

About propyl phosphate;bis(tetramethylphosphanium)

propyl phosphate;bis(tetramethylphosphanium) (PubChem CID 87474534) has the molecular formula C11H31O4P3 and a molecular weight of 320.29 g/mol. Its IUPAC name is propyl phosphate;bis(tetramethylphosphanium).

Molecular Properties

Compound Namepropyl phosphate;bis(tetramethylphosphanium)
PubChem CID87474534
Molecular FormulaC11H31O4P3
Molecular Weight320.29 g/mol
Exact Mass320.14
IUPAC Namepropyl phosphate;bis(tetramethylphosphanium)
SMILESCCCOP(=O)([O-])[O-].C[P+](C)(C)C.C[P+](C)(C)C
InChIInChI=1S/2C4H12P.C3H9O4P/c2*1-5(2,3)4;1-2-3-7-8(4,5)6/h2*1-4H3;2-3H2,1H3,(H2,4,5,6)/q2*+1;/p-2
InChIKeyBLPSRCXZTFTEKC-UHFFFAOYSA-L
XLogP2.29
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.29
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

butyl phosphate;titanium(2+)
CID 141032733
propyl phosphate;bis(tetrahexylphosphanium)
CID 87474397
2-phosphonatooxyethyl phosphate
CID 22721325
sodium hydroxy propyl phosphate
CID 172830425
aluminum nonyl phosphate
CID 19089706
dilithium;tridecyl phosphate
CID 159999815
dipotassium;octadecyl phosphate
CID 20511704
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium tetradecyl phosphate
CID 172742428
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
azanium tetradecyl phosphate
CID 19028533

Frequently Asked Questions

What is the IUPAC name of propyl phosphate;bis(tetramethylphosphanium)?
The IUPAC name of propyl phosphate;bis(tetramethylphosphanium) (CID 87474534) is propyl phosphate;bis(tetramethylphosphanium).
What is the SMILES notation for propyl phosphate;bis(tetramethylphosphanium)?
The canonical SMILES for propyl phosphate;bis(tetramethylphosphanium) is CCCOP(=O)([O-])[O-].C[P+](C)(C)C.C[P+](C)(C)C.
What is the InChIKey of propyl phosphate;bis(tetramethylphosphanium)?
The InChIKey is BLPSRCXZTFTEKC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12P.C3H9O4P/c2*1-5(2,3)4;1-2-3-7-8(4,5)6/h2*1-4H3;2-3H2,1H3,(H2,4,5,6)/q2*+1;/p-2.
What are the key properties of propyl phosphate;bis(tetramethylphosphanium)?
propyl phosphate;bis(tetramethylphosphanium) has a molecular weight of 320.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl phosphate;bis(tetramethylphosphanium) is sourced from PubChem (CID 87474534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).