2-[methoxy(propan-2-yl)phosphoryl]propane

C7H17O2P — CID 15162241

IUPAC2-[methoxy(propan-2-yl)phosphoryl]propane
SMILESCOP(=O)(C(C)C)C(C)C
InChIInChI=1S/C7H17O2P/c1-6(2)10(8,9-5)7(3)4/h6-7H,1-5H3
InChIKeyKFZZWGGIILOBLD-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.73
Rot. Bonds3

About 2-[methoxy(propan-2-yl)phosphoryl]propane

2-[methoxy(propan-2-yl)phosphoryl]propane (PubChem CID 15162241) has the molecular formula C7H17O2P and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-[methoxy(propan-2-yl)phosphoryl]propane.

Molecular Properties

Compound Name2-[methoxy(propan-2-yl)phosphoryl]propane
PubChem CID15162241
Molecular FormulaC7H17O2P
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name2-[methoxy(propan-2-yl)phosphoryl]propane
SMILESCOP(=O)(C(C)C)C(C)C
InChIInChI=1S/C7H17O2P/c1-6(2)10(8,9-5)7(3)4/h6-7H,1-5H3
InChIKeyKFZZWGGIILOBLD-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methoxy(propan-2-yl)phosphoryl]propane 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-[methoxy(propan-2-yl)phosphoryl]propane?
The IUPAC name of 2-[methoxy(propan-2-yl)phosphoryl]propane (CID 15162241) is 2-[methoxy(propan-2-yl)phosphoryl]propane.
What is the SMILES notation for 2-[methoxy(propan-2-yl)phosphoryl]propane?
The canonical SMILES for 2-[methoxy(propan-2-yl)phosphoryl]propane is COP(=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[methoxy(propan-2-yl)phosphoryl]propane?
The InChIKey is KFZZWGGIILOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-6(2)10(8,9-5)7(3)4/h6-7H,1-5H3.
What are the key properties of 2-[methoxy(propan-2-yl)phosphoryl]propane?
2-[methoxy(propan-2-yl)phosphoryl]propane has a molecular weight of 164.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(propan-2-yl)phosphoryl]propane is sourced from PubChem (CID 15162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).