[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate

C6H13O5P — CID 175292316

IUPAC[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
SMILESCCOP(=O)(O)OC(=O)C(C)C
InChIInChI=1S/C6H13O5P/c1-4-10-12(8,9)11-6(7)5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyHZEJNNMMEXKCMQ-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.32
Rot. Bonds4

About [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate

[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate (PubChem CID 175292316) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate.

Molecular Properties

Compound Name[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
PubChem CID175292316
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
SMILESCCOP(=O)(O)OC(=O)C(C)C
InChIInChI=1S/C6H13O5P/c1-4-10-12(8,9)11-6(7)5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyHZEJNNMMEXKCMQ-UHFFFAOYSA-N
XLogP1.32
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
CID 174702024
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585
methyl(2-methylpropanoyloxy)phosphinic acid
CID 118185294
2-methylpropanamide;triethyl phosphate
CID 155316510
ethyl 3-methylbutan-2-yl hydrogen phosphate
CID 139213198
dimethylphosphoryl 2-methylpropanoate
CID 87754367
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
diethyl hydrogen phosphate;formonitrile
CID 87389342

Frequently Asked Questions

What is the IUPAC name of [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate?
The IUPAC name of [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate (CID 175292316) is [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate.
What is the SMILES notation for [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate?
The canonical SMILES for [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate is CCOP(=O)(O)OC(=O)C(C)C.
What is the InChIKey of [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate?
The InChIKey is HZEJNNMMEXKCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-4-10-12(8,9)11-6(7)5(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate?
[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate has a molecular weight of 196.14 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(hydroxy)phosphoryl] 2-methylpropanoate is sourced from PubChem (CID 175292316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).