3-ethylpent-1-enyl dihydrogen phosphate

C7H15O4P — CID 57189428

IUPAC3-ethylpent-1-enyl dihydrogen phosphate
SMILESCCC(C=COP(=O)(O)O)CC
InChIInChI=1S/C7H15O4P/c1-3-7(4-2)5-6-11-12(8,9)10/h5-7H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeySQUKZUPKNPLUAC-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.05
Rot. Bonds5

About 3-ethylpent-1-enyl dihydrogen phosphate

3-ethylpent-1-enyl dihydrogen phosphate (PubChem CID 57189428) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-ethylpent-1-enyl dihydrogen phosphate.

Molecular Properties

Compound Name3-ethylpent-1-enyl dihydrogen phosphate
PubChem CID57189428
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name3-ethylpent-1-enyl dihydrogen phosphate
SMILESCCC(C=COP(=O)(O)O)CC
InChIInChI=1S/C7H15O4P/c1-3-7(4-2)5-6-11-12(8,9)10/h5-7H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeySQUKZUPKNPLUAC-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-enyl dihydrogen phosphate?
The IUPAC name of 3-ethylpent-1-enyl dihydrogen phosphate (CID 57189428) is 3-ethylpent-1-enyl dihydrogen phosphate.
What is the SMILES notation for 3-ethylpent-1-enyl dihydrogen phosphate?
The canonical SMILES for 3-ethylpent-1-enyl dihydrogen phosphate is CCC(C=COP(=O)(O)O)CC.
What is the InChIKey of 3-ethylpent-1-enyl dihydrogen phosphate?
The InChIKey is SQUKZUPKNPLUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-3-7(4-2)5-6-11-12(8,9)10/h5-7H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 3-ethylpent-1-enyl dihydrogen phosphate?
3-ethylpent-1-enyl dihydrogen phosphate has a molecular weight of 194.17 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-enyl dihydrogen phosphate is sourced from PubChem (CID 57189428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).