ditert-butyl(trihydroxy)-λ5-phosphane

C8H21O3P — CID 57131912

IUPACditert-butyl(trihydroxy)-λ5-phosphane
SMILESCC(C)(C)P(O)(O)(O)C(C)(C)C
InChIInChI=1S/C8H21O3P/c1-7(2,3)12(9,10,11)8(4,5)6/h9-11H,1-6H3
InChIKeyORQRFOKBXXPKGT-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.86
Rot. Bonds

About ditert-butyl(trihydroxy)-λ5-phosphane

ditert-butyl(trihydroxy)-λ5-phosphane (PubChem CID 57131912) has the molecular formula C8H21O3P and a molecular weight of 196.23 g/mol. Its IUPAC name is ditert-butyl(trihydroxy)-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl(trihydroxy)-λ5-phosphane
PubChem CID57131912
Molecular FormulaC8H21O3P
Molecular Weight196.23 g/mol
Exact Mass196.12
IUPAC Nameditert-butyl(trihydroxy)-λ5-phosphane
SMILESCC(C)(C)P(O)(O)(O)C(C)(C)C
InChIInChI=1S/C8H21O3P/c1-7(2,3)12(9,10,11)8(4,5)6/h9-11H,1-6H3
InChIKeyORQRFOKBXXPKGT-UHFFFAOYSA-N
XLogP1.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Stk368765
CID 4593041
Phosphinic acid, bis(1,1-dimethylethyl)-
CID 11767225
Diisobutylphosphorous acid
CID 57009988
Dipropylphosphorous acid
CID 57010229
Diisopropylphosphorous acid
CID 57021697
t-Butylphosphorous acid
CID 57170449
Dibutylphosphorous acid
CID 57270779
DI-Tert-butylhydroxyphosphine
CID 4376763
Diisopentylphosphorous acid
CID 129813493
Di(t-butyl)selenophosphinic acid
CID 129871826
Tert-butylphosphonous acid
CID 14945263
Ditert-butyl-chloro-dihydroxy-lambda5-phosphane
CID 53471932

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(trihydroxy)-λ5-phosphane?
The IUPAC name of ditert-butyl(trihydroxy)-λ5-phosphane (CID 57131912) is ditert-butyl(trihydroxy)-λ5-phosphane.
What is the SMILES notation for ditert-butyl(trihydroxy)-λ5-phosphane?
The canonical SMILES for ditert-butyl(trihydroxy)-λ5-phosphane is CC(C)(C)P(O)(O)(O)C(C)(C)C.
What is the InChIKey of ditert-butyl(trihydroxy)-λ5-phosphane?
The InChIKey is ORQRFOKBXXPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21O3P/c1-7(2,3)12(9,10,11)8(4,5)6/h9-11H,1-6H3.
What are the key properties of ditert-butyl(trihydroxy)-λ5-phosphane?
ditert-butyl(trihydroxy)-λ5-phosphane has a molecular weight of 196.23 g/mol, XLogP of 1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(trihydroxy)-λ5-phosphane is sourced from PubChem (CID 57131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).