2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate

C10H23O6P — CID 87720487

IUPAC2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C10H23O6P/c1-10(2,3)9-16-17(11,12)15-8-7-14-6-5-13-4/h5-9H2,1-4H3,(H,11,12)
InChIKeySZRHHEHBJMMAGA-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.83
Rot. Bonds9

About 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate

2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate (PubChem CID 87720487) has the molecular formula C10H23O6P and a molecular weight of 270.26 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
PubChem CID87720487
Molecular FormulaC10H23O6P
Molecular Weight270.26 g/mol
Exact Mass270.12
IUPAC Name2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C10H23O6P/c1-10(2,3)9-16-17(11,12)15-8-7-14-6-5-13-4/h5-9H2,1-4H3,(H,11,12)
InChIKeySZRHHEHBJMMAGA-UHFFFAOYSA-N
XLogP1.83
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate?
The IUPAC name of 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate (CID 87720487) is 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate.
What is the SMILES notation for 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate?
The canonical SMILES for 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate is COCCOCCOP(=O)(O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate?
The InChIKey is SZRHHEHBJMMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O6P/c1-10(2,3)9-16-17(11,12)15-8-7-14-6-5-13-4/h5-9H2,1-4H3,(H,11,12).
What are the key properties of 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate?
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate has a molecular weight of 270.26 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate is sourced from PubChem (CID 87720487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).