2-methoxyethyl phosphonooxymethyl carbonate

C5H11O8P — CID 175887543

IUPAC2-methoxyethyl phosphonooxymethyl carbonate
SMILESCOCCOC(=O)OCOP(=O)(O)O
InChIInChI=1S/C5H11O8P/c1-10-2-3-11-5(6)12-4-13-14(7,8)9/h2-4H2,1H3,(H2,7,8,9)
InChIKeyFNLPPDJHICWAKR-UHFFFAOYSA-N
MW230.11 g/mol
LogP-0.15
Rot. Bonds6

About 2-methoxyethyl phosphonooxymethyl carbonate

2-methoxyethyl phosphonooxymethyl carbonate (PubChem CID 175887543) has the molecular formula C5H11O8P and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-methoxyethyl phosphonooxymethyl carbonate.

Molecular Properties

Compound Name2-methoxyethyl phosphonooxymethyl carbonate
PubChem CID175887543
Molecular FormulaC5H11O8P
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name2-methoxyethyl phosphonooxymethyl carbonate
SMILESCOCCOC(=O)OCOP(=O)(O)O
InChIInChI=1S/C5H11O8P/c1-10-2-3-11-5(6)12-4-13-14(7,8)9/h2-4H2,1H3,(H2,7,8,9)
InChIKeyFNLPPDJHICWAKR-UHFFFAOYSA-N
XLogP-0.15
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'phosphor', 'substructure': 'N/A'}

Analyze 2-methoxyethyl phosphonooxymethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-phosphonooxyethyl) carbonate
CID 87299335
2-methoxyethyl phosphorosooxymethyl carbonate
CID 175510993
tert-butyl phosphonooxymethyl carbonate
CID 89472425
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
[[(E)-prop-1-enyl]-(propoxycarbonyloxymethoxy)phosphoryl]oxymethyl propyl carbonate
CID 90905920
propyl dihydrogen phosphate;urea
CID 88818408
2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
CID 175366577

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl phosphonooxymethyl carbonate?
The IUPAC name of 2-methoxyethyl phosphonooxymethyl carbonate (CID 175887543) is 2-methoxyethyl phosphonooxymethyl carbonate.
What is the SMILES notation for 2-methoxyethyl phosphonooxymethyl carbonate?
The canonical SMILES for 2-methoxyethyl phosphonooxymethyl carbonate is COCCOC(=O)OCOP(=O)(O)O.
What is the InChIKey of 2-methoxyethyl phosphonooxymethyl carbonate?
The InChIKey is FNLPPDJHICWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O8P/c1-10-2-3-11-5(6)12-4-13-14(7,8)9/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 2-methoxyethyl phosphonooxymethyl carbonate?
2-methoxyethyl phosphonooxymethyl carbonate has a molecular weight of 230.11 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl phosphonooxymethyl carbonate is sourced from PubChem (CID 175887543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).