chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol

C7H18ClO4P — CID 87958894

IUPACchloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol
SMILESCC(C)(C)COP(O)Cl.OCCO
InChIInChI=1S/C5H12ClO2P.C2H6O2/c1-5(2,3)4-8-9(6)7;3-1-2-4/h7H,4H2,1-3H3;3-4H,1-2H2
InChIKeyNSGLXEYMGZNMFI-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.48
Rot. Bonds3

About chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol

chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol (PubChem CID 87958894) has the molecular formula C7H18ClO4P and a molecular weight of 232.64 g/mol. Its IUPAC name is chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol.

Molecular Properties

Compound Namechloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol
PubChem CID87958894
Molecular FormulaC7H18ClO4P
Molecular Weight232.64 g/mol
Exact Mass232.06
IUPAC Namechloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol
SMILESCC(C)(C)COP(O)Cl.OCCO
InChIInChI=1S/C5H12ClO2P.C2H6O2/c1-5(2,3)4-8-9(6)7;3-1-2-4/h7H,4H2,1-3H3;3-4H,1-2H2
InChIKeyNSGLXEYMGZNMFI-UHFFFAOYSA-N
XLogP1.48
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol 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 chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol?
The IUPAC name of chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol (CID 87958894) is chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol.
What is the SMILES notation for chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol?
The canonical SMILES for chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol is CC(C)(C)COP(O)Cl.OCCO.
What is the InChIKey of chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol?
The InChIKey is NSGLXEYMGZNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2P.C2H6O2/c1-5(2,3)4-8-9(6)7;3-1-2-4/h7H,4H2,1-3H3;3-4H,1-2H2.
What are the key properties of chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol?
chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol has a molecular weight of 232.64 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol is sourced from PubChem (CID 87958894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).