2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate

C9H17O6P — CID 174891666

IUPAC2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
SMILESC=CCOCC(COP(=O)(O)O)OCC=C
InChIInChI=1S/C9H17O6P/c1-3-5-13-7-9(14-6-4-2)8-15-16(10,11)12/h3-4,9H,1-2,5-8H2,(H2,10,11,12)
InChIKeyKGYRMEZFVNALNQ-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.87
Rot. Bonds10

About 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate

2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate (PubChem CID 174891666) has the molecular formula C9H17O6P and a molecular weight of 252.20 g/mol. Its IUPAC name is 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate.

Molecular Properties

Compound Name2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
PubChem CID174891666
Molecular FormulaC9H17O6P
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
SMILESC=CCOCC(COP(=O)(O)O)OCC=C
InChIInChI=1S/C9H17O6P/c1-3-5-13-7-9(14-6-4-2)8-15-16(10,11)12/h3-4,9H,1-2,5-8H2,(H2,10,11,12)
InChIKeyKGYRMEZFVNALNQ-UHFFFAOYSA-N
XLogP0.87
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
CID 102161020
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
(1-phosphorosooxy-3-prop-2-enoxypropan-2-yl) dihydrogen phosphate
CID 174791121
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
2,3-bis(3,7,11,15-tetramethylhexadec-2-enoxy)propyl dihydrogen phosphate
CID 91326910
2-ethenylbut-3-enyl dihydrogen phosphate
CID 90185562
2,3-didecoxypropyl dihydrogen phosphate
CID 87439612
[(2R)-2,3-bis(prop-2-enoxy)propyl] octadecanoate
CID 98572567
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
5-[1-[1-[2-[3-[2,3-bis[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]-2-[3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-prop-2-enoxypropoxy]-2-prop-2-enoxypropoxy]propoxy]-3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]propoxy]propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propan-2-yl]oxy-3-[2,3-bis(prop-2-enoxy)propoxy]propan-2-yl]oxypent-1-ene
CID 102351484
2-[hydroxy-[(2S)-1-hydroxy-3-prop-2-enoxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
CID 87400762
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate?
The IUPAC name of 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate (CID 174891666) is 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate.
What is the SMILES notation for 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate?
The canonical SMILES for 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate is C=CCOCC(COP(=O)(O)O)OCC=C.
What is the InChIKey of 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate?
The InChIKey is KGYRMEZFVNALNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O6P/c1-3-5-13-7-9(14-6-4-2)8-15-16(10,11)12/h3-4,9H,1-2,5-8H2,(H2,10,11,12).
What are the key properties of 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate?
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate has a molecular weight of 252.20 g/mol, XLogP of 0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate is sourced from PubChem (CID 174891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).