[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid

C7H16Cl2O6P2 — CID 10065127

IUPAC[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OC(C)C
InChIInChI=1S/C7H16Cl2O6P2/c1-5(2)14-16(10,11)7(8,9)17(12,13)15-6(3)4/h5-6H,1-4H3,(H,10,11)(H,12,13)
InChIKeySAOXZPMFJMHTDO-UHFFFAOYSA-N
MW329.05 g/mol
LogP3.30
Rot. Bonds6

About [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid

[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid (PubChem CID 10065127) has the molecular formula C7H16Cl2O6P2 and a molecular weight of 329.05 g/mol. Its IUPAC name is [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid
PubChem CID10065127
Molecular FormulaC7H16Cl2O6P2
Molecular Weight329.05 g/mol
Exact Mass327.98
IUPAC Name[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OC(C)C
InChIInChI=1S/C7H16Cl2O6P2/c1-5(2)14-16(10,11)7(8,9)17(12,13)15-6(3)4/h5-6H,1-4H3,(H,10,11)(H,12,13)
InChIKeySAOXZPMFJMHTDO-UHFFFAOYSA-N
XLogP3.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.05
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid?
The IUPAC name of [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid (CID 10065127) is [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid.
What is the SMILES notation for [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid?
The canonical SMILES for [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid is CC(C)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OC(C)C.
What is the InChIKey of [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid?
The InChIKey is SAOXZPMFJMHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2O6P2/c1-5(2)14-16(10,11)7(8,9)17(12,13)15-6(3)4/h5-6H,1-4H3,(H,10,11)(H,12,13).
What are the key properties of [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid?
[dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid has a molecular weight of 329.05 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-[hydroxy(propan-2-yloxy)phosphoryl]methyl]-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 10065127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).