potassium dipropan-2-yl phosphate

C6H14KO4P — CID 23688140

IUPACpotassium dipropan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OC(C)C.[K+]
InChIInChI=1S/C6H15O4P.K/c1-5(2)9-11(7,8)10-6(3)4;/h5-6H,1-4H3,(H,7,8);/q;+1/p-1
InChIKeyZXLNJWGRKCJXIP-UHFFFAOYSA-M
MW220.25 g/mol
LogP-1.69
Rot. Bonds4

About potassium dipropan-2-yl phosphate

potassium dipropan-2-yl phosphate (PubChem CID 23688140) has the molecular formula C6H14KO4P and a molecular weight of 220.25 g/mol. Its IUPAC name is potassium dipropan-2-yl phosphate.

Molecular Properties

Compound Namepotassium dipropan-2-yl phosphate
PubChem CID23688140
Molecular FormulaC6H14KO4P
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namepotassium dipropan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OC(C)C.[K+]
InChIInChI=1S/C6H15O4P.K/c1-5(2)9-11(7,8)10-6(3)4;/h5-6H,1-4H3,(H,7,8);/q;+1/p-1
InChIKeyZXLNJWGRKCJXIP-UHFFFAOYSA-M
XLogP-1.69
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.69
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

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Monoisopropyl phosphate
CID 15391
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989
Triisopropyl phosphate
CID 68188
Tetraisopropyl pyrophosphate
CID 79916
Diethyl propan-2-yl phosphate
CID 13642774

Frequently Asked Questions

What is the IUPAC name of potassium dipropan-2-yl phosphate?
The IUPAC name of potassium dipropan-2-yl phosphate (CID 23688140) is potassium dipropan-2-yl phosphate.
What is the SMILES notation for potassium dipropan-2-yl phosphate?
The canonical SMILES for potassium dipropan-2-yl phosphate is CC(C)OP(=O)([O-])OC(C)C.[K+].
What is the InChIKey of potassium dipropan-2-yl phosphate?
The InChIKey is ZXLNJWGRKCJXIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O4P.K/c1-5(2)9-11(7,8)10-6(3)4;/h5-6H,1-4H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium dipropan-2-yl phosphate?
potassium dipropan-2-yl phosphate has a molecular weight of 220.25 g/mol, XLogP of -1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dipropan-2-yl phosphate is sourced from PubChem (CID 23688140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).