2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid

C6H9O5P — CID 87861719

IUPAC2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCOP=O)C(=O)O
InChIInChI=1S/C6H9O5P/c1-5(6(7)8)4-10-2-3-11-12-9/h1-4H2,(H,7,8)
InChIKeyIHQBKNWCEVPOQD-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.87
Rot. Bonds7

About 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid

2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid (PubChem CID 87861719) has the molecular formula C6H9O5P and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid
PubChem CID87861719
Molecular FormulaC6H9O5P
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCOP=O)C(=O)O
InChIInChI=1S/C6H9O5P/c1-5(6(7)8)4-10-2-3-11-12-9/h1-4H2,(H,7,8)
InChIKeyIHQBKNWCEVPOQD-UHFFFAOYSA-N
XLogP0.87
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid (CID 87861719) is 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid is C=C(COCCOP=O)C(=O)O.
What is the InChIKey of 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid?
The InChIKey is IHQBKNWCEVPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O5P/c1-5(6(7)8)4-10-2-3-11-12-9/h1-4H2,(H,7,8).
What are the key properties of 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid?
2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid has a molecular weight of 192.11 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphorosooxyethoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 87861719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).