di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium

C10H23OP2+ — CID 23414233

IUPACdi(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium
SMILESCC(C)P(C[P+](=O)C(C)C)C(C)C
InChIInChI=1S/C10H23OP2/c1-8(2)12(9(3)4)7-13(11)10(5)6/h8-10H,7H2,1-6H3/q+1
InChIKeyVVBJUHGNLRBNJX-UHFFFAOYSA-N
MW221.24 g/mol
LogP4.48
Rot. Bonds5

About di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium

di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium (PubChem CID 23414233) has the molecular formula C10H23OP2+ and a molecular weight of 221.24 g/mol. Its IUPAC name is di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Namedi(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium
PubChem CID23414233
Molecular FormulaC10H23OP2+
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Namedi(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium
SMILESCC(C)P(C[P+](=O)C(C)C)C(C)C
InChIInChI=1S/C10H23OP2/c1-8(2)12(9(3)4)7-13(11)10(5)6/h8-10H,7H2,1-6H3/q+1
InChIKeyVVBJUHGNLRBNJX-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
CID 126625988
bis(2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane);bis(rhodium)
CID 10952707
bis(2-methylpropyl)-oxophosphanium
CID 14146620
di(propan-2-yl)phosphanylmethyl-[di(propan-2-yl)phosphanylmethyl-propan-2-ylphosphanyl]-propan-2-ylphosphane
CID 13349508
bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
CID 11061444
tris[2-di(propan-2-yl)phosphanylethyl]phosphane
CID 102285026
2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;ethene;palladium
CID 15876186
fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium
CID 87640222
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
bis(4-aminobutan-2-yloxy)-oxophosphanium
CID 88803000
2,6-dichloro-4-(1-chloroethyl)heptane;dihydroxy(oxo)phosphanium
CID 88657195
2-di(propan-2-yl)phosphanyl-N,N-dimethylethanamine
CID 547402

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium?
The IUPAC name of di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium (CID 23414233) is di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium.
What is the SMILES notation for di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium?
The canonical SMILES for di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium is CC(C)P(C[P+](=O)C(C)C)C(C)C.
What is the InChIKey of di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium?
The InChIKey is VVBJUHGNLRBNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23OP2/c1-8(2)12(9(3)4)7-13(11)10(5)6/h8-10H,7H2,1-6H3/q+1.
What are the key properties of di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium?
di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium has a molecular weight of 221.24 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)phosphanylmethyl-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 23414233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).