dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane

C19H42O2P2 — CID 140963488

IUPACdibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane
SMILESCCCCP(CCCC)C(OC(C)(C)C)(OC(C)(C)C)P(C)C
InChIInChI=1S/C19H42O2P2/c1-11-13-15-23(16-14-12-2)19(22(9)10,20-17(3,4)5)21-18(6,7)8/h11-16H2,1-10H3
InChIKeyVNEHHNZZLNHSAO-UHFFFAOYSA-N
MW364.49 g/mol
LogP7.05
Rot. Bonds10

About dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane

dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane (PubChem CID 140963488) has the molecular formula C19H42O2P2 and a molecular weight of 364.49 g/mol. Its IUPAC name is dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane.

Molecular Properties

Compound Namedibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane
PubChem CID140963488
Molecular FormulaC19H42O2P2
Molecular Weight364.49 g/mol
Exact Mass364.27
IUPAC Namedibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane
SMILESCCCCP(CCCC)C(OC(C)(C)C)(OC(C)(C)C)P(C)C
InChIInChI=1S/C19H42O2P2/c1-11-13-15-23(16-14-12-2)19(22(9)10,20-17(3,4)5)21-18(6,7)8/h11-16H2,1-10H3
InChIKeyVNEHHNZZLNHSAO-UHFFFAOYSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
CID 173222621
2-methoxy-2-methylpropane;pentane
CID 22145886
3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
CID 140640311
ruthenium;tetrakis(tributylphosphane)
CID 137286049
sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 175810945
1,1-bis(dihexylphosphanyl)butyl-dihexylphosphane
CID 90108447
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
pentane;tritert-butylphosphane
CID 175086214
methane;pentane;phosphane
CID 162253317
benzene;butyl(dipropoxy)phosphane
CID 158448165
butyl(dipropoxy)phosphane
CID 87672656

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane?
The IUPAC name of dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane (CID 140963488) is dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane.
What is the SMILES notation for dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane?
The canonical SMILES for dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane is CCCCP(CCCC)C(OC(C)(C)C)(OC(C)(C)C)P(C)C.
What is the InChIKey of dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane?
The InChIKey is VNEHHNZZLNHSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2P2/c1-11-13-15-23(16-14-12-2)19(22(9)10,20-17(3,4)5)21-18(6,7)8/h11-16H2,1-10H3.
What are the key properties of dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane?
dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane has a molecular weight of 364.49 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane is sourced from PubChem (CID 140963488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).