ditert-butylphosphinic acid;hydrochloride

C8H20ClO2P — CID 175112016

IUPACditert-butylphosphinic acid;hydrochloride
SMILESCC(C)(C)P(=O)(O)C(C)(C)C.Cl
InChIInChI=1S/C8H19O2P.ClH/c1-7(2,3)11(9,10)8(4,5)6;/h1-6H3,(H,9,10);1H
InChIKeyBDTZFPYHYQLRRH-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.28
Rot. Bonds

About ditert-butylphosphinic acid;hydrochloride

ditert-butylphosphinic acid;hydrochloride (PubChem CID 175112016) has the molecular formula C8H20ClO2P and a molecular weight of 214.67 g/mol. Its IUPAC name is ditert-butylphosphinic acid;hydrochloride.

Molecular Properties

Compound Nameditert-butylphosphinic acid;hydrochloride
PubChem CID175112016
Molecular FormulaC8H20ClO2P
Molecular Weight214.67 g/mol
Exact Mass214.09
IUPAC Nameditert-butylphosphinic acid;hydrochloride
SMILESCC(C)(C)P(=O)(O)C(C)(C)C.Cl
InChIInChI=1S/C8H19O2P.ClH/c1-7(2,3)11(9,10)8(4,5)6;/h1-6H3,(H,9,10);1H
InChIKeyBDTZFPYHYQLRRH-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane-1,2-diol;bis(ditert-butylphosphinic acid)
CID 87841531
methylphosphonic acid;dihydrochloride
CID 87344491
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
tert-butyl(methoxy)phosphinic acid
CID 14945264
1,1-difluoroethylphosphonic acid
CID 23183684
aminomethyl(tert-butyl)phosphinic acid
CID 14024293
azane;phosphoric acid;dihydrochloride
CID 173049818
phosphane;phosphoric acid;hexahydrochloride
CID 175124967
phosphoric acid;hydrochloride;dihydrofluoride
CID 174058844
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621

Frequently Asked Questions

What is the IUPAC name of ditert-butylphosphinic acid;hydrochloride?
The IUPAC name of ditert-butylphosphinic acid;hydrochloride (CID 175112016) is ditert-butylphosphinic acid;hydrochloride.
What is the SMILES notation for ditert-butylphosphinic acid;hydrochloride?
The canonical SMILES for ditert-butylphosphinic acid;hydrochloride is CC(C)(C)P(=O)(O)C(C)(C)C.Cl.
What is the InChIKey of ditert-butylphosphinic acid;hydrochloride?
The InChIKey is BDTZFPYHYQLRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P.ClH/c1-7(2,3)11(9,10)8(4,5)6;/h1-6H3,(H,9,10);1H.
What are the key properties of ditert-butylphosphinic acid;hydrochloride?
ditert-butylphosphinic acid;hydrochloride has a molecular weight of 214.67 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylphosphinic acid;hydrochloride is sourced from PubChem (CID 175112016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).