2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate

C9H23O4P3 — CID 146281386

IUPAC2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate
SMILESCCC(C)(P)OP(=O)(O)OC(P)(CC)CC
InChIInChI=1S/C9H23O4P3/c1-5-8(4,14)12-16(10,11)13-9(15,6-2)7-3/h5-7,14-15H2,1-4H3,(H,10,11)
InChIKeyQCPMWTHBFSQDFD-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.51
Rot. Bonds7

About 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate

2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate (PubChem CID 146281386) has the molecular formula C9H23O4P3 and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate.

Molecular Properties

Compound Name2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate
PubChem CID146281386
Molecular FormulaC9H23O4P3
Molecular Weight288.20 g/mol
Exact Mass288.08
IUPAC Name2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate
SMILESCCC(C)(P)OP(=O)(O)OC(P)(CC)CC
InChIInChI=1S/C9H23O4P3/c1-5-8(4,14)12-16(10,11)13-9(15,6-2)7-3/h5-7,14-15H2,1-4H3,(H,10,11)
InChIKeyQCPMWTHBFSQDFD-UHFFFAOYSA-N
XLogP3.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131873404
CID 131873404
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
bis(2-methylnonan-2-yl) hydrogen phosphate
CID 22497522
(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
CID 87919109
[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate
CID 102093654
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
ditert-butyl hydrogen phosphate;tetrabutylazanium
CID 86222702
1,1-diethoxyethyl methyl hydrogen phosphate
CID 175400532
3-methylheptan-3-yl dihydrogen phosphate
CID 152563174
2-[hydroxy(3-hydroxypentan-3-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 123971949
2-[hydroxy(2-hydroxybutan-2-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 174192214

Frequently Asked Questions

What is the IUPAC name of 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate?
The IUPAC name of 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate (CID 146281386) is 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate.
What is the SMILES notation for 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate?
The canonical SMILES for 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate is CCC(C)(P)OP(=O)(O)OC(P)(CC)CC.
What is the InChIKey of 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate?
The InChIKey is QCPMWTHBFSQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23O4P3/c1-5-8(4,14)12-16(10,11)13-9(15,6-2)7-3/h5-7,14-15H2,1-4H3,(H,10,11).
What are the key properties of 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate?
2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate has a molecular weight of 288.20 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylbutan-2-yl 3-phosphanylpentan-3-yl hydrogen phosphate is sourced from PubChem (CID 146281386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).