2-methoxyethyl phosphorosooxymethyl carbonate

C5H9O6P — CID 175510993

IUPAC2-methoxyethyl phosphorosooxymethyl carbonate
SMILESCOCCOC(=O)OCOP=O
InChIInChI=1S/C5H9O6P/c1-8-2-3-9-5(6)10-4-11-12-7/h2-4H2,1H3
InChIKeyFGWVGKJFVIJOQQ-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.97
Rot. Bonds6

About 2-methoxyethyl phosphorosooxymethyl carbonate

2-methoxyethyl phosphorosooxymethyl carbonate (PubChem CID 175510993) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-methoxyethyl phosphorosooxymethyl carbonate.

Molecular Properties

Compound Name2-methoxyethyl phosphorosooxymethyl carbonate
PubChem CID175510993
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name2-methoxyethyl phosphorosooxymethyl carbonate
SMILESCOCCOC(=O)OCOP=O
InChIInChI=1S/C5H9O6P/c1-8-2-3-9-5(6)10-4-11-12-7/h2-4H2,1H3
InChIKeyFGWVGKJFVIJOQQ-UHFFFAOYSA-N
XLogP0.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.97
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-methoxyethyl phosphonooxymethyl carbonate
CID 175887543
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
butyl 3-methoxypropyl carbonate
CID 87247582
bis(2-phosphonooxyethyl) carbonate
CID 87299335
2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
CID 91727445
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942
hydroxy 2-[2-(2-methoxyethyl)hydrazinyl]ethyl carbonate
CID 163638297
1-methoxypropane;methyl propyl carbonate
CID 159112216

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl phosphorosooxymethyl carbonate?
The IUPAC name of 2-methoxyethyl phosphorosooxymethyl carbonate (CID 175510993) is 2-methoxyethyl phosphorosooxymethyl carbonate.
What is the SMILES notation for 2-methoxyethyl phosphorosooxymethyl carbonate?
The canonical SMILES for 2-methoxyethyl phosphorosooxymethyl carbonate is COCCOC(=O)OCOP=O.
What is the InChIKey of 2-methoxyethyl phosphorosooxymethyl carbonate?
The InChIKey is FGWVGKJFVIJOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c1-8-2-3-9-5(6)10-4-11-12-7/h2-4H2,1H3.
What are the key properties of 2-methoxyethyl phosphorosooxymethyl carbonate?
2-methoxyethyl phosphorosooxymethyl carbonate has a molecular weight of 196.09 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl phosphorosooxymethyl carbonate is sourced from PubChem (CID 175510993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).