butoxy-butyl-ditert-butylphosphanyloxyphosphane

C16H36O2P2 — CID 13184503

IUPACbutoxy-butyl-ditert-butylphosphanyloxyphosphane
SMILESCCCCOP(CCCC)OP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2P2/c1-9-11-13-17-19(14-12-10-2)18-20(15(3,4)5)16(6,7)8/h9-14H2,1-8H3
InChIKeyXFWYPIIUCBEAEU-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.93
Rot. Bonds9

About butoxy-butyl-ditert-butylphosphanyloxyphosphane

butoxy-butyl-ditert-butylphosphanyloxyphosphane (PubChem CID 13184503) has the molecular formula C16H36O2P2 and a molecular weight of 322.41 g/mol. Its IUPAC name is butoxy-butyl-ditert-butylphosphanyloxyphosphane.

Molecular Properties

Compound Namebutoxy-butyl-ditert-butylphosphanyloxyphosphane
PubChem CID13184503
Molecular FormulaC16H36O2P2
Molecular Weight322.41 g/mol
Exact Mass322.22
IUPAC Namebutoxy-butyl-ditert-butylphosphanyloxyphosphane
SMILESCCCCOP(CCCC)OP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2P2/c1-9-11-13-17-19(14-12-10-2)18-20(15(3,4)5)16(6,7)8/h9-14H2,1-8H3
InChIKeyXFWYPIIUCBEAEU-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl(dioctoxy)phosphane
CID 139899840
butyl(dipropoxy)phosphane
CID 87672656
benzene;butyl(dipropoxy)phosphane
CID 158448165
butyl(dimethoxy)phosphane
CID 14855639
dibutoxy(chloro)phosphane
CID 4231195
dibutoxy(fluoro)phosphane
CID 15373704
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
CID 156788715
diethoxy(pentyl)phosphane
CID 21107293
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
chlororuthenium;tris(tributyl phosphite)
CID 173315437

Frequently Asked Questions

What is the IUPAC name of butoxy-butyl-ditert-butylphosphanyloxyphosphane?
The IUPAC name of butoxy-butyl-ditert-butylphosphanyloxyphosphane (CID 13184503) is butoxy-butyl-ditert-butylphosphanyloxyphosphane.
What is the SMILES notation for butoxy-butyl-ditert-butylphosphanyloxyphosphane?
The canonical SMILES for butoxy-butyl-ditert-butylphosphanyloxyphosphane is CCCCOP(CCCC)OP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of butoxy-butyl-ditert-butylphosphanyloxyphosphane?
The InChIKey is XFWYPIIUCBEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2P2/c1-9-11-13-17-19(14-12-10-2)18-20(15(3,4)5)16(6,7)8/h9-14H2,1-8H3.
What are the key properties of butoxy-butyl-ditert-butylphosphanyloxyphosphane?
butoxy-butyl-ditert-butylphosphanyloxyphosphane has a molecular weight of 322.41 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-butyl-ditert-butylphosphanyloxyphosphane is sourced from PubChem (CID 13184503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).