ethyl prop-2-ynyl hydrogen phosphate;hydrochloride

C5H10ClO4P — CID 88748912

IUPACethyl prop-2-ynyl hydrogen phosphate;hydrochloride
SMILESC#CCOP(=O)(O)OCC.Cl
InChIInChI=1S/C5H9O4P.ClH/c1-3-5-9-10(6,7)8-4-2;/h1H,4-5H2,2H3,(H,6,7);1H
InChIKeyNNGNDJOOEZGKCK-UHFFFAOYSA-N
MW200.56 g/mol
LogP1.19
Rot. Bonds4

About ethyl prop-2-ynyl hydrogen phosphate;hydrochloride

ethyl prop-2-ynyl hydrogen phosphate;hydrochloride (PubChem CID 88748912) has the molecular formula C5H10ClO4P and a molecular weight of 200.56 g/mol. Its IUPAC name is ethyl prop-2-ynyl hydrogen phosphate;hydrochloride.

Molecular Properties

Compound Nameethyl prop-2-ynyl hydrogen phosphate;hydrochloride
PubChem CID88748912
Molecular FormulaC5H10ClO4P
Molecular Weight200.56 g/mol
Exact Mass200.00
IUPAC Nameethyl prop-2-ynyl hydrogen phosphate;hydrochloride
SMILESC#CCOP(=O)(O)OCC.Cl
InChIInChI=1S/C5H9O4P.ClH/c1-3-5-9-10(6,7)8-4-2;/h1H,4-5H2,2H3,(H,6,7);1H
InChIKeyNNGNDJOOEZGKCK-UHFFFAOYSA-N
XLogP1.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-ynyl hydrogen phosphate;hydrochloride?
The IUPAC name of ethyl prop-2-ynyl hydrogen phosphate;hydrochloride (CID 88748912) is ethyl prop-2-ynyl hydrogen phosphate;hydrochloride.
What is the SMILES notation for ethyl prop-2-ynyl hydrogen phosphate;hydrochloride?
The canonical SMILES for ethyl prop-2-ynyl hydrogen phosphate;hydrochloride is C#CCOP(=O)(O)OCC.Cl.
What is the InChIKey of ethyl prop-2-ynyl hydrogen phosphate;hydrochloride?
The InChIKey is NNGNDJOOEZGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P.ClH/c1-3-5-9-10(6,7)8-4-2;/h1H,4-5H2,2H3,(H,6,7);1H.
What are the key properties of ethyl prop-2-ynyl hydrogen phosphate;hydrochloride?
ethyl prop-2-ynyl hydrogen phosphate;hydrochloride has a molecular weight of 200.56 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-ynyl hydrogen phosphate;hydrochloride is sourced from PubChem (CID 88748912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).