dipotassium;butan-2-yl phosphate

C4H9K2O4P — CID 21353345

IUPACdipotassium;butan-2-yl phosphate
SMILESCCC(C)OP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C4H11O4P.2K/c1-3-4(2)8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyVRWNXHSSRMWPAL-UHFFFAOYSA-L
MW230.28 g/mol
LogP-6.36
Rot. Bonds3

About dipotassium;butan-2-yl phosphate

dipotassium;butan-2-yl phosphate (PubChem CID 21353345) has the molecular formula C4H9K2O4P and a molecular weight of 230.28 g/mol. Its IUPAC name is dipotassium;butan-2-yl phosphate.

Molecular Properties

Compound Namedipotassium;butan-2-yl phosphate
PubChem CID21353345
Molecular FormulaC4H9K2O4P
Molecular Weight230.28 g/mol
Exact Mass229.95
IUPAC Namedipotassium;butan-2-yl phosphate
SMILESCCC(C)OP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C4H11O4P.2K/c1-3-4(2)8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyVRWNXHSSRMWPAL-UHFFFAOYSA-L
XLogP-6.36
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 5-6.36
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

tributan-2-yl phosphate
CID 11482502
dipotassium;tridecan-2-yl phosphate
CID 139671549
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
nonadecan-2-yl phosphate
CID 21219886
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
trisodium;butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane;di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 160846660
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 88795040
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
butan-2-yl octyl phosphate;zinc
CID 160789065

Frequently Asked Questions

What is the IUPAC name of dipotassium;butan-2-yl phosphate?
The IUPAC name of dipotassium;butan-2-yl phosphate (CID 21353345) is dipotassium;butan-2-yl phosphate.
What is the SMILES notation for dipotassium;butan-2-yl phosphate?
The canonical SMILES for dipotassium;butan-2-yl phosphate is CCC(C)OP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;butan-2-yl phosphate?
The InChIKey is VRWNXHSSRMWPAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O4P.2K/c1-3-4(2)8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2.
What are the key properties of dipotassium;butan-2-yl phosphate?
dipotassium;butan-2-yl phosphate has a molecular weight of 230.28 g/mol, XLogP of -6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;butan-2-yl phosphate is sourced from PubChem (CID 21353345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).