2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate

C12H23O7P — CID 177092599

IUPAC2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OC1(C(=O)C(C)C)CC1
InChIInChI=1S/C12H23O7P/c1-10(2)11(13)12(4-5-12)19-20(14,15)18-9-8-17-7-6-16-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGIVPWFDVBDQLHY-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.54
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate

2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate (PubChem CID 177092599) has the molecular formula C12H23O7P and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate
PubChem CID177092599
Molecular FormulaC12H23O7P
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OC1(C(=O)C(C)C)CC1
InChIInChI=1S/C12H23O7P/c1-10(2)11(13)12(4-5-12)19-20(14,15)18-9-8-17-7-6-16-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyGIVPWFDVBDQLHY-UHFFFAOYSA-N
XLogP1.54
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate 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 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate (CID 177092599) is 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate is COCCOCCOP(=O)(O)OC1(C(=O)C(C)C)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate?
The InChIKey is GIVPWFDVBDQLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O7P/c1-10(2)11(13)12(4-5-12)19-20(14,15)18-9-8-17-7-6-16-3/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate?
2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate has a molecular weight of 310.28 g/mol, XLogP of 1.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate is sourced from PubChem (CID 177092599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).