dibutoxy-butyl-phosphanyloxyphosphanium

C12H29O3P2+ — CID 175438465

IUPACdibutoxy-butyl-phosphanyloxyphosphanium
SMILESCCCCO[P+](CCCC)(OP)OCCCC
InChIInChI=1S/C12H29O3P2/c1-4-7-10-13-17(15-16,12-9-6-3)14-11-8-5-2/h4-12,16H2,1-3H3/q+1
InChIKeyKQWKOKXCOWTYDY-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.99
Rot. Bonds12

About dibutoxy-butyl-phosphanyloxyphosphanium

dibutoxy-butyl-phosphanyloxyphosphanium (PubChem CID 175438465) has the molecular formula C12H29O3P2+ and a molecular weight of 283.31 g/mol. Its IUPAC name is dibutoxy-butyl-phosphanyloxyphosphanium.

Molecular Properties

Compound Namedibutoxy-butyl-phosphanyloxyphosphanium
PubChem CID175438465
Molecular FormulaC12H29O3P2+
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Namedibutoxy-butyl-phosphanyloxyphosphanium
SMILESCCCCO[P+](CCCC)(OP)OCCCC
InChIInChI=1S/C12H29O3P2/c1-4-7-10-13-17(15-16,12-9-6-3)14-11-8-5-2/h4-12,16H2,1-3H3/q+1
InChIKeyKQWKOKXCOWTYDY-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tri(tridecoxy)-tridecylphosphanium
CID 175336508
1,1,4,4-tetrabutoxybutane
CID 139887225
2-butoxyhexane;ethane
CID 144590910
1,2-dibutoxyhexane
CID 19805858
butoxy-nonan-5-yl-oxophosphanium
CID 87283149
3-propoxyheptane
CID 91289422
1,1-dibutoxyoctane
CID 54557001
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
magnesium;1-(1-butoxyethoxy)butane;silanide;hydrochloride
CID 174595954
5-ethoxynonane
CID 91187482
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476

Frequently Asked Questions

What is the IUPAC name of dibutoxy-butyl-phosphanyloxyphosphanium?
The IUPAC name of dibutoxy-butyl-phosphanyloxyphosphanium (CID 175438465) is dibutoxy-butyl-phosphanyloxyphosphanium.
What is the SMILES notation for dibutoxy-butyl-phosphanyloxyphosphanium?
The canonical SMILES for dibutoxy-butyl-phosphanyloxyphosphanium is CCCCO[P+](CCCC)(OP)OCCCC.
What is the InChIKey of dibutoxy-butyl-phosphanyloxyphosphanium?
The InChIKey is KQWKOKXCOWTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O3P2/c1-4-7-10-13-17(15-16,12-9-6-3)14-11-8-5-2/h4-12,16H2,1-3H3/q+1.
What are the key properties of dibutoxy-butyl-phosphanyloxyphosphanium?
dibutoxy-butyl-phosphanyloxyphosphanium has a molecular weight of 283.31 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-butyl-phosphanyloxyphosphanium is sourced from PubChem (CID 175438465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).