ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate

C7H13O6P — CID 134344558

IUPACethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate
SMILESCCOC(=O)C1OC(C)(C)OP1(=O)O
InChIInChI=1S/C7H13O6P/c1-4-11-5(8)6-12-7(2,3)13-14(6,9)10/h6H,4H2,1-3H3,(H,9,10)
InChIKeyZENGSFYGNGPVKM-UHFFFAOYSA-N
MW224.15 g/mol
LogP0.84
Rot. Bonds2

About ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate

ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate (PubChem CID 134344558) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate
PubChem CID134344558
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Nameethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate
SMILESCCOC(=O)C1OC(C)(C)OP1(=O)O
InChIInChI=1S/C7H13O6P/c1-4-11-5(8)6-12-7(2,3)13-14(6,9)10/h6H,4H2,1-3H3,(H,9,10)
InChIKeyZENGSFYGNGPVKM-UHFFFAOYSA-N
XLogP0.84
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-ethyl (1R,3R)-3-[(2R)-3,3-dimethyloxiran-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 134865011
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
diethyl (4R,5R)-2-(bromomethyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 10782268
ethyl 3-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11160616
ethyl (2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-carboxylate
CID 11148552
ethyl (4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 162400717
ethyl 3-hexyl-3-methyloxirane-2-carboxylate
CID 14387201
ethyl 3-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 23248107
3-O-[[(4R,5R)-5-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 1-O-ethyl propanedioate
CID 100939783
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate?
The IUPAC name of ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate (CID 134344558) is ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate is CCOC(=O)C1OC(C)(C)OP1(=O)O.
What is the InChIKey of ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate?
The InChIKey is ZENGSFYGNGPVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O6P/c1-4-11-5(8)6-12-7(2,3)13-14(6,9)10/h6H,4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate?
ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate has a molecular weight of 224.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5,5-dimethyl-2-oxo-1,4,2λ5-dioxaphospholane-3-carboxylate is sourced from PubChem (CID 134344558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).