ethenyl propan-2-yl hydrogen phosphate

C5H11O4P — CID 101139347

IUPACethenyl propan-2-yl hydrogen phosphate
SMILESC=COP(=O)(O)OC(C)C
InChIInChI=1S/C5H11O4P/c1-4-8-10(6,7)9-5(2)3/h4-5H,1H2,2-3H3,(H,6,7)
InChIKeyLJBRNKPAHYDDHB-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.67
Rot. Bonds4

About ethenyl propan-2-yl hydrogen phosphate

ethenyl propan-2-yl hydrogen phosphate (PubChem CID 101139347) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is ethenyl propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Nameethenyl propan-2-yl hydrogen phosphate
PubChem CID101139347
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Nameethenyl propan-2-yl hydrogen phosphate
SMILESC=COP(=O)(O)OC(C)C
InChIInChI=1S/C5H11O4P/c1-4-8-10(6,7)9-5(2)3/h4-5H,1H2,2-3H3,(H,6,7)
InChIKeyLJBRNKPAHYDDHB-UHFFFAOYSA-N
XLogP1.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
fluoro propan-2-yl hydrogen phosphate
CID 22590861
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
CID 88836579
[ethenoxy(hydroxy)phosphoryl] carbamate
CID 163620088
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
2-dimethylphosphoryloxypropane
CID 12572720
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
[hydroxy(phosphonooxy)phosphinothioyl] propan-2-yl hydrogen phosphate
CID 59471498
azido propan-2-yl hydrogen phosphate
CID 23045995

Frequently Asked Questions

What is the IUPAC name of ethenyl propan-2-yl hydrogen phosphate?
The IUPAC name of ethenyl propan-2-yl hydrogen phosphate (CID 101139347) is ethenyl propan-2-yl hydrogen phosphate.
What is the SMILES notation for ethenyl propan-2-yl hydrogen phosphate?
The canonical SMILES for ethenyl propan-2-yl hydrogen phosphate is C=COP(=O)(O)OC(C)C.
What is the InChIKey of ethenyl propan-2-yl hydrogen phosphate?
The InChIKey is LJBRNKPAHYDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4-8-10(6,7)9-5(2)3/h4-5H,1H2,2-3H3,(H,6,7).
What are the key properties of ethenyl propan-2-yl hydrogen phosphate?
ethenyl propan-2-yl hydrogen phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl propan-2-yl hydrogen phosphate is sourced from PubChem (CID 101139347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).