aluminum [(E)-3-ethoxyprop-1-enyl] phosphate

C5H9AlO5P+ — CID 20550510

IUPACaluminum [(E)-3-ethoxyprop-1-enyl] phosphate
SMILESCCOC/C=C/OP(=O)([O-])[O-].[Al+3]
InChIInChI=1S/C5H11O5P.Al/c1-2-9-4-3-5-10-11(6,7)8;/h3,5H,2,4H2,1H3,(H2,6,7,8);/q;+3/p-2/b5-3+;
InChIKeyXDXWAMFCCNAOMO-WGCWOXMQSA-L
MW207.08 g/mol
LogP-1.00
Rot. Bonds5

About aluminum [(E)-3-ethoxyprop-1-enyl] phosphate

aluminum [(E)-3-ethoxyprop-1-enyl] phosphate (PubChem CID 20550510) has the molecular formula C5H9AlO5P+ and a molecular weight of 207.08 g/mol. Its IUPAC name is aluminum [(E)-3-ethoxyprop-1-enyl] phosphate.

Molecular Properties

Compound Namealuminum [(E)-3-ethoxyprop-1-enyl] phosphate
PubChem CID20550510
Molecular FormulaC5H9AlO5P+
Molecular Weight207.08 g/mol
Exact Mass207.00
IUPAC Namealuminum [(E)-3-ethoxyprop-1-enyl] phosphate
SMILESCCOC/C=C/OP(=O)([O-])[O-].[Al+3]
InChIInChI=1S/C5H11O5P.Al/c1-2-9-4-3-5-10-11(6,7)8;/h3,5H,2,4H2,1H3,(H2,6,7,8);/q;+3/p-2/b5-3+;
InChIKeyXDXWAMFCCNAOMO-WGCWOXMQSA-L
XLogP-1.00
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dilithium;prop-1-enyl phosphate
CID 177307945
aluminum;chloro phosphate;ethanolate
CID 88806976
sodium 2-ethoxyethyl phosphate
CID 139597529
disodium;ethyl phosphate
CID 11970393
tetrasodium ethyl phosphate
CID 141178132
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
1-chloro-4-ethoxybut-2-ene
CID 567303
[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate
CID 171377947
barium(2+);ethyl phosphate
CID 12691393
disodium bis(diethyl phosphate)
CID 57370561
ethoxyethane;[(E)-octadec-1-enyl] dihydrogen phosphate
CID 88647688
ethoxyethane;formaldehyde
CID 174286087

Frequently Asked Questions

What is the IUPAC name of aluminum [(E)-3-ethoxyprop-1-enyl] phosphate?
The IUPAC name of aluminum [(E)-3-ethoxyprop-1-enyl] phosphate (CID 20550510) is aluminum [(E)-3-ethoxyprop-1-enyl] phosphate.
What is the SMILES notation for aluminum [(E)-3-ethoxyprop-1-enyl] phosphate?
The canonical SMILES for aluminum [(E)-3-ethoxyprop-1-enyl] phosphate is CCOC/C=C/OP(=O)([O-])[O-].[Al+3].
What is the InChIKey of aluminum [(E)-3-ethoxyprop-1-enyl] phosphate?
The InChIKey is XDXWAMFCCNAOMO-WGCWOXMQSA-L. The full InChI is InChI=1S/C5H11O5P.Al/c1-2-9-4-3-5-10-11(6,7)8;/h3,5H,2,4H2,1H3,(H2,6,7,8);/q;+3/p-2/b5-3+;.
What are the key properties of aluminum [(E)-3-ethoxyprop-1-enyl] phosphate?
aluminum [(E)-3-ethoxyprop-1-enyl] phosphate has a molecular weight of 207.08 g/mol, XLogP of -1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum [(E)-3-ethoxyprop-1-enyl] phosphate is sourced from PubChem (CID 20550510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).