di(propan-2-yl)phosphoryl hypochlorite

C6H14ClO2P — CID 175525433

IUPACdi(propan-2-yl)phosphoryl hypochlorite
SMILESCC(C)P(=O)(OCl)C(C)C
InChIInChI=1S/C6H14ClO2P/c1-5(2)10(8,9-7)6(3)4/h5-6H,1-4H3
InChIKeyJUHFMDBGPNAWFN-UHFFFAOYSA-N
MW184.60 g/mol
LogP3.25
Rot. Bonds3

About di(propan-2-yl)phosphoryl hypochlorite

di(propan-2-yl)phosphoryl hypochlorite (PubChem CID 175525433) has the molecular formula C6H14ClO2P and a molecular weight of 184.60 g/mol. Its IUPAC name is di(propan-2-yl)phosphoryl hypochlorite.

Molecular Properties

Compound Namedi(propan-2-yl)phosphoryl hypochlorite
PubChem CID175525433
Molecular FormulaC6H14ClO2P
Molecular Weight184.60 g/mol
Exact Mass184.04
IUPAC Namedi(propan-2-yl)phosphoryl hypochlorite
SMILESCC(C)P(=O)(OCl)C(C)C
InChIInChI=1S/C6H14ClO2P/c1-5(2)10(8,9-7)6(3)4/h5-6H,1-4H3
InChIKeyJUHFMDBGPNAWFN-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methoxy(propan-2-yl)phosphoryl]propane
CID 15162241
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
[chlorooxy(methyl)phosphoryl] hypochlorite
CID 23175688
1,2,3-tris[di(propan-2-yl)phosphoryloxy]propane
CID 23081759
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
CID 175183070
chloro methyl 2-methylpropyl phosphate
CID 118608255
[chlorooxy(ethyl)phosphoryl] hypochlorite
CID 139922572
1,2-bis[di(propan-2-yl)phosphoryloxy]butane
CID 23081866
[chloro-[chloro(methyl)phosphoryl]oxyphosphoryl]methane
CID 10987550
2-[fluoro(methyl)phosphoryl]propane
CID 23616463
methyl hypochlorite;phosphoric acid
CID 175163315
2-[chloro(fluoromethoxy)phosphoryl]propane
CID 88777535

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)phosphoryl hypochlorite?
The IUPAC name of di(propan-2-yl)phosphoryl hypochlorite (CID 175525433) is di(propan-2-yl)phosphoryl hypochlorite.
What is the SMILES notation for di(propan-2-yl)phosphoryl hypochlorite?
The canonical SMILES for di(propan-2-yl)phosphoryl hypochlorite is CC(C)P(=O)(OCl)C(C)C.
What is the InChIKey of di(propan-2-yl)phosphoryl hypochlorite?
The InChIKey is JUHFMDBGPNAWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2P/c1-5(2)10(8,9-7)6(3)4/h5-6H,1-4H3.
What are the key properties of di(propan-2-yl)phosphoryl hypochlorite?
di(propan-2-yl)phosphoryl hypochlorite has a molecular weight of 184.60 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)phosphoryl hypochlorite is sourced from PubChem (CID 175525433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).