2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid

C10H15O7P — CID 87504188

IUPAC2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
SMILESC=CC(=O)OCCOP(=O)(O)CCOC(=O)C=C
InChIInChI=1S/C10H15O7P/c1-3-9(11)15-5-6-17-18(13,14)8-7-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyZWJHTNNWNBISPY-UHFFFAOYSA-N
MW278.20 g/mol
LogP0.65
Rot. Bonds9

About 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid

2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid (PubChem CID 87504188) has the molecular formula C10H15O7P and a molecular weight of 278.20 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid.

Molecular Properties

Compound Name2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
PubChem CID87504188
Molecular FormulaC10H15O7P
Molecular Weight278.20 g/mol
Exact Mass278.06
IUPAC Name2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
SMILESC=CC(=O)OCCOP(=O)(O)CCOC(=O)C=C
InChIInChI=1S/C10H15O7P/c1-3-9(11)15-5-6-17-18(13,14)8-7-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyZWJHTNNWNBISPY-UHFFFAOYSA-N
XLogP0.65
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
magnesium 2-prop-2-enoyloxyethyl phosphate
CID 174879443
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 172740430
methoxy(3-prop-2-enoyloxypropyl)phosphinic acid
CID 154634835
2-(2-prop-2-enoyloxyethylsulfanyl)ethylphosphonic acid
CID 137435024
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
CID 172847247
9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
CID 138489892
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
2-[ethoxy(methoxy)phosphoryl]ethyl prop-2-enoate
CID 164896517
ethane-1,2-diol;prop-2-enoyl chloride;2-prop-2-enoyloxyethyl prop-2-enoate
CID 160715574

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid?
The IUPAC name of 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid (CID 87504188) is 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid.
What is the SMILES notation for 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid?
The canonical SMILES for 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid is C=CC(=O)OCCOP(=O)(O)CCOC(=O)C=C.
What is the InChIKey of 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid?
The InChIKey is ZWJHTNNWNBISPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O7P/c1-3-9(11)15-5-6-17-18(13,14)8-7-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14).
What are the key properties of 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid?
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid has a molecular weight of 278.20 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid is sourced from PubChem (CID 87504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).