di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid

C23H60O7P4S2 — CID 162151729

IUPACdi(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid
SMILESCC.CC(C)P(=O)(O)C(C)C.CC(C)P(=O)(O)O.CC(C)P(O)(=S)C(C)C.CC(C)P(O)(=S)C(C)C
InChIInChI=1S/C6H15O2P.2C6H15OPS.C3H9O3P.C2H6/c1-5(2)9(7,8)6(3)4;2*1-5(2)8(7,9)6(3)4;1-3(2)7(4,5)6;1-2/h5-6H,1-4H3,(H,7,8);2*5-6H,1-4H3,(H,7,9);3H,1-2H3,(H2,4,5,6);1-2H3
InChIKeyZLHMSYYOOFRAQH-UHFFFAOYSA-N
MW636.76 g/mol
LogP8.05
Rot. Bonds7

About di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid

di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid (PubChem CID 162151729) has the molecular formula C23H60O7P4S2 and a molecular weight of 636.76 g/mol. Its IUPAC name is di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid.

Molecular Properties

Compound Namedi(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid
PubChem CID162151729
Molecular FormulaC23H60O7P4S2
Molecular Weight636.76 g/mol
Exact Mass636.27
IUPAC Namedi(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid
SMILESCC.CC(C)P(=O)(O)C(C)C.CC(C)P(=O)(O)O.CC(C)P(O)(=S)C(C)C.CC(C)P(O)(=S)C(C)C
InChIInChI=1S/C6H15O2P.2C6H15OPS.C3H9O3P.C2H6/c1-5(2)9(7,8)6(3)4;2*1-5(2)8(7,9)6(3)4;1-3(2)7(4,5)6;1-2/h5-6H,1-4H3,(H,7,8);2*5-6H,1-4H3,(H,7,9);3H,1-2H3,(H2,4,5,6);1-2H3
InChIKeyZLHMSYYOOFRAQH-UHFFFAOYSA-N
XLogP8.05
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 58.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

di(propan-2-yl)phosphinic acid;di(propan-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane;hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane
CID 157488607
di(propan-2-yl)phosphinic acid;lanthanum
CID 174826410
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
[hydroxy(phosphonooxy)phosphoryl]oxy-propan-2-ylphosphinic acid;propan-2-ylphosphonic acid
CID 159702232
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
alumane;ethane;phosphoric acid
CID 173118040
ethane;tetrakis(propan-2-ol)
CID 174681393
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
dimethylphosphinic acid;hydroxy-dimethyl-sulfanylidene-λ5-phosphane;methane;methylphosphonic acid
CID 159434045

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid?
The IUPAC name of di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid (CID 162151729) is di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid.
What is the SMILES notation for di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid?
The canonical SMILES for di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid is CC.CC(C)P(=O)(O)C(C)C.CC(C)P(=O)(O)O.CC(C)P(O)(=S)C(C)C.CC(C)P(O)(=S)C(C)C.
What is the InChIKey of di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid?
The InChIKey is ZLHMSYYOOFRAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2P.2C6H15OPS.C3H9O3P.C2H6/c1-5(2)9(7,8)6(3)4;2*1-5(2)8(7,9)6(3)4;1-3(2)7(4,5)6;1-2/h5-6H,1-4H3,(H,7,8);2*5-6H,1-4H3,(H,7,9);3H,1-2H3,(H2,4,5,6);1-2H3.
What are the key properties of di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid?
di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid has a molecular weight of 636.76 g/mol, XLogP of 8.05, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid is sourced from PubChem (CID 162151729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).