bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol

C32H38O6P2+2 — CID 175697648

IUPACbis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
SMILESCC(C)(O)C#CC(C)(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H12O2P.C8H14O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(2,9)5-6-8(3,4)10/h2*1-10,13-14H;9-10H,1-4H3/q2*+1;
InChIKeyJGRMRSMLZWEKER-UHFFFAOYSA-N
MW580.60 g/mol
LogP3.47
Rot. Bonds4

About bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol

bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol (PubChem CID 175697648) has the molecular formula C32H38O6P2+2 and a molecular weight of 580.60 g/mol. Its IUPAC name is bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol.

Molecular Properties

Compound Namebis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
PubChem CID175697648
Molecular FormulaC32H38O6P2+2
Molecular Weight580.60 g/mol
Exact Mass580.21
IUPAC Namebis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
SMILESCC(C)(O)C#CC(C)(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H12O2P.C8H14O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(2,9)5-6-8(3,4)10/h2*1-10,13-14H;9-10H,1-4H3/q2*+1;
InChIKeyJGRMRSMLZWEKER-UHFFFAOYSA-N
XLogP3.47
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.60
LogP ≤ 53.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxy(diphenyl)phosphanium);2-methyl-1-phenylbutane-1,3-diol
CID 175697652
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
(Z)-2-methyl-6-phenyl-5-trimethylsilylhex-5-en-3-yn-2-ol
CID 56840260
(Z)-7-methyl-3-pentyl-4-phenyloct-3-en-5-yne-2,7-diol
CID 46210116
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134
bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol
CID 175697698
(1S)-4-methyl-1-phenyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751171
bis(2-methylbut-3-yn-2-ol);platinum(2+);bis(triphenylphosphane)
CID 139238791

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol?
The IUPAC name of bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol (CID 175697648) is bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol.
What is the SMILES notation for bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol?
The canonical SMILES for bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol is CC(C)(O)C#CC(C)(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol?
The InChIKey is JGRMRSMLZWEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O2P.C8H14O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(2,9)5-6-8(3,4)10/h2*1-10,13-14H;9-10H,1-4H3/q2*+1;.
What are the key properties of bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol?
bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol has a molecular weight of 580.60 g/mol, XLogP of 3.47, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol is sourced from PubChem (CID 175697648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).