strontium;hydride;tris(2-methylphenyl) phosphate

C21H23O4PSr — CID 174594378

IUPACstrontium;hydride;tris(2-methylphenyl) phosphate
SMILESCc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C.[H-].[H-].[Sr+2]
InChIInChI=1S/C21H21O4P.Sr.2H/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;;;/q;+2;2*-1
InChIKeyUKYSTMPKWDPKKA-UHFFFAOYSA-N
MW458.01 g/mol
LogP6.10
Rot. Bonds6

About strontium;hydride;tris(2-methylphenyl) phosphate

strontium;hydride;tris(2-methylphenyl) phosphate (PubChem CID 174594378) has the molecular formula C21H23O4PSr and a molecular weight of 458.01 g/mol. Its IUPAC name is strontium;hydride;tris(2-methylphenyl) phosphate.

Molecular Properties

Compound Namestrontium;hydride;tris(2-methylphenyl) phosphate
PubChem CID174594378
Molecular FormulaC21H23O4PSr
Molecular Weight458.01 g/mol
Exact Mass458.04
IUPAC Namestrontium;hydride;tris(2-methylphenyl) phosphate
SMILESCc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C.[H-].[H-].[Sr+2]
InChIInChI=1S/C21H21O4P.Sr.2H/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;;;/q;+2;2*-1
InChIKeyUKYSTMPKWDPKKA-UHFFFAOYSA-N
XLogP6.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
CID 174515144
CID 174515144
bis(2-methylphenyl) phenyl phosphate
CID 14618640
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
bis(2-methylphenoxy)phosphoryl ethaneperoxoate
CID 172721615
octanoic acid;tris(2-methylphenyl) phosphate
CID 174964578
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
bis(2-methylphenyl) nonoxy phosphate
CID 175883940

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;tris(2-methylphenyl) phosphate?
The IUPAC name of strontium;hydride;tris(2-methylphenyl) phosphate (CID 174594378) is strontium;hydride;tris(2-methylphenyl) phosphate.
What is the SMILES notation for strontium;hydride;tris(2-methylphenyl) phosphate?
The canonical SMILES for strontium;hydride;tris(2-methylphenyl) phosphate is Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;tris(2-methylphenyl) phosphate?
The InChIKey is UKYSTMPKWDPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P.Sr.2H/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3;;;/h4-15H,1-3H3;;;/q;+2;2*-1.
What are the key properties of strontium;hydride;tris(2-methylphenyl) phosphate?
strontium;hydride;tris(2-methylphenyl) phosphate has a molecular weight of 458.01 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;tris(2-methylphenyl) phosphate is sourced from PubChem (CID 174594378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).