ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate

C8H13O5P — CID 87600703

IUPACethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
SMILESC=C(COCOCP=O)C(=O)OCC
InChIInChI=1S/C8H13O5P/c1-3-13-8(9)7(2)4-11-5-12-6-14-10/h2-6H2,1H3
InChIKeyXNMZUXIXLVDMQB-UHFFFAOYSA-N
MW220.16 g/mol
LogP1.35
Rot. Bonds8

About ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate

ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate (PubChem CID 87600703) has the molecular formula C8H13O5P and a molecular weight of 220.16 g/mol. Its IUPAC name is ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
PubChem CID87600703
Molecular FormulaC8H13O5P
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Nameethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
SMILESC=C(COCOCP=O)C(=O)OCC
InChIInChI=1S/C8H13O5P/c1-3-13-8(9)7(2)4-11-5-12-6-14-10/h2-6H2,1H3
InChIKeyXNMZUXIXLVDMQB-UHFFFAOYSA-N
XLogP1.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
CID 112586950
ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
CID 139681010
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
ethyl 2-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]methyl]prop-2-enoate
CID 168844951
1-(2-ethoxycarbonylprop-2-enoxy)propan-2-ylphosphonic acid
CID 59930586
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
CID 139854890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate (CID 87600703) is ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate is C=C(COCOCP=O)C(=O)OCC.
What is the InChIKey of ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate?
The InChIKey is XNMZUXIXLVDMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O5P/c1-3-13-8(9)7(2)4-11-5-12-6-14-10/h2-6H2,1H3.
What are the key properties of ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate?
ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate has a molecular weight of 220.16 g/mol, XLogP of 1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate is sourced from PubChem (CID 87600703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).