[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate

C13H28Cl2O9P3- — CID 23419610

IUPAC[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate
SMILESCC(C)OP(=O)(OC(C)C)OP(=O)([O-])C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H29Cl2O9P3/c1-9(2)20-26(18,21-10(3)4)13(14,15)25(16,17)24-27(19,22-11(5)6)23-12(7)8/h9-12H,1-8H3,(H,16,17)/p-1
InChIKeyVNOWVBSWEJIOOT-UHFFFAOYSA-M
MW492.19 g/mol
LogP5.65
Rot. Bonds12

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

[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate (PubChem CID 23419610) has the molecular formula C13H28Cl2O9P3- and a molecular weight of 492.19 g/mol. Its IUPAC name is [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate.

Molecular Properties

Compound Name[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate
PubChem CID23419610
Molecular FormulaC13H28Cl2O9P3-
Molecular Weight492.19 g/mol
Exact Mass491.03
IUPAC Name[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate
SMILESCC(C)OP(=O)(OC(C)C)OP(=O)([O-])C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H29Cl2O9P3/c1-9(2)20-26(18,21-10(3)4)13(14,15)25(16,17)24-27(19,22-11(5)6)23-12(7)8/h9-12H,1-8H3,(H,16,17)/p-1
InChIKeyVNOWVBSWEJIOOT-UHFFFAOYSA-M
XLogP5.65
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trisodium;[dichloro(phosphonato)methyl]-propan-2-yloxyphosphinate
CID 15786046
copper bis(dipropan-2-yl phosphate)
CID 159825108
[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] dipropan-2-yl phosphate
CID 139957076
methane;methyl dipropan-2-yl phosphate
CID 158565801
difluoro propan-2-yl phosphate
CID 87647761
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 129387352
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
1-chloro-4-di(propan-2-yloxy)phosphoryl-4,4-difluorobutan-2-ol
CID 102390088
2-chloroethenyl dipropan-2-yl phosphate
CID 54160652
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539

Frequently Asked Questions

What is the IUPAC name of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate?
The IUPAC name of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate (CID 23419610) is [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate.
What is the SMILES notation for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate?
The canonical SMILES for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate is CC(C)OP(=O)(OC(C)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]-di(propan-2-yloxy)phosphoryloxyphosphinate?
The InChIKey is VNOWVBSWEJIOOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H29Cl2O9P3/c1-9(2)20-26(18,21-10(3)4)13(14,15)25(16,17)24-27(19,22-11(5)6)23-12(7)8/h9-12H,1-8H3,(H,16,17)/p-1.
What are the key properties of [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate?
[dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate has a molecular weight of 492.19 g/mol, XLogP of 5.65, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-di(propan-2-yloxy)phosphorylmethyl]-di(propan-2-yloxy)phosphoryloxyphosphinate is sourced from PubChem (CID 23419610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).