1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol

C9H21O4P — CID 12688725

IUPAC1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol
SMILESCCOP(=O)(OCC)C(O)C(C)(C)C
InChIInChI=1S/C9H21O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyDFFSNLVLQQYIHX-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.62
Rot. Bonds5

About 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol

1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol (PubChem CID 12688725) has the molecular formula C9H21O4P and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol
PubChem CID12688725
Molecular FormulaC9H21O4P
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Name1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol
SMILESCCOP(=O)(OCC)C(O)C(C)(C)C
InChIInChI=1S/C9H21O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyDFFSNLVLQQYIHX-UHFFFAOYSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol 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 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol (CID 12688725) is 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol is CCOP(=O)(OCC)C(O)C(C)(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol?
The InChIKey is DFFSNLVLQQYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol?
1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol has a molecular weight of 224.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 12688725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).