sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate

C10H21Cl2NaO6P2 — CID 23722539

IUPACsodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate
SMILESCC(C)OP(=O)([O-])C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.[Na+]
InChIInChI=1S/C10H22Cl2O6P2.Na/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);/q;+1/p-1
InChIKeyZUYBEKWUJJTTPT-UHFFFAOYSA-M
MW393.12 g/mol
LogP1.10
Rot. Bonds8

About sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate

sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate (PubChem CID 23722539) has the molecular formula C10H21Cl2NaO6P2 and a molecular weight of 393.12 g/mol. Its IUPAC name is sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate.

Molecular Properties

Compound Namesodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate
PubChem CID23722539
Molecular FormulaC10H21Cl2NaO6P2
Molecular Weight393.12 g/mol
Exact Mass392.01
IUPAC Namesodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate
SMILESCC(C)OP(=O)([O-])C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.[Na+]
InChIInChI=1S/C10H22Cl2O6P2.Na/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);/q;+1/p-1
InChIKeyZUYBEKWUJJTTPT-UHFFFAOYSA-M
XLogP1.10
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate?
The IUPAC name of sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate (CID 23722539) is sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate.
What is the SMILES notation for sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate?
The canonical SMILES for sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate is CC(C)OP(=O)([O-])C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.[Na+].
What is the InChIKey of sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate?
The InChIKey is ZUYBEKWUJJTTPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22Cl2O6P2.Na/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);/q;+1/p-1.
What are the key properties of sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate?
sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate has a molecular weight of 393.12 g/mol, XLogP of 1.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate is sourced from PubChem (CID 23722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).