[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid

C10H22Cl2O6P2 — CID 10480808

IUPAC[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H22Cl2O6P2/c1-7(2)16-19(13,14)10(11,12)20(15,17-8(3)4)18-9(5)6/h7-9H,1-6H3,(H,13,14)
InChIKeyRCFAVXBYIFIDLY-UHFFFAOYSA-N
MW371.13 g/mol
LogP4.73
Rot. Bonds8

About [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid

[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid (PubChem CID 10480808) has the molecular formula C10H22Cl2O6P2 and a molecular weight of 371.13 g/mol. Its IUPAC name is [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid
PubChem CID10480808
Molecular FormulaC10H22Cl2O6P2
Molecular Weight371.13 g/mol
Exact Mass370.03
IUPAC Name[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H22Cl2O6P2/c1-7(2)16-19(13,14)10(11,12)20(15,17-8(3)4)18-9(5)6/h7-9H,1-6H3,(H,13,14)
InChIKeyRCFAVXBYIFIDLY-UHFFFAOYSA-N
XLogP4.73
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.13
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid 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 [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid?
The IUPAC name of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid (CID 10480808) is [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid.
What is the SMILES notation for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid?
The canonical SMILES for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid is CC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid?
The InChIKey is RCFAVXBYIFIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Cl2O6P2/c1-7(2)16-19(13,14)10(11,12)20(15,17-8(3)4)18-9(5)6/h7-9H,1-6H3,(H,13,14).
What are the key properties of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid?
[dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid has a molecular weight of 371.13 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 10480808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).