methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate

C8H13O5P — CID 46229100

IUPACmethyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate
SMILESCOC(=O)C1=C(C)OP(=O)(OC)CC1
InChIInChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5H2,1-3H3
InChIKeyZTQBDHNTLRKOMZ-UHFFFAOYSA-N
MW220.16 g/mol
LogP1.69
Rot. Bonds2

About methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate

methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate (PubChem CID 46229100) has the molecular formula C8H13O5P and a molecular weight of 220.16 g/mol. Its IUPAC name is methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate
PubChem CID46229100
Molecular FormulaC8H13O5P
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Namemethyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate
SMILESCOC(=O)C1=C(C)OP(=O)(OC)CC1
InChIInChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5H2,1-3H3
InChIKeyZTQBDHNTLRKOMZ-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate?
The IUPAC name of methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate (CID 46229100) is methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate is COC(=O)C1=C(C)OP(=O)(OC)CC1.
What is the InChIKey of methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate?
The InChIKey is ZTQBDHNTLRKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5H2,1-3H3.
What are the key properties of methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate?
methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate has a molecular weight of 220.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-methyl-2-oxo-3,4-dihydro-1,2λ5-oxaphosphinine-5-carboxylate is sourced from PubChem (CID 46229100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).