tert-butyl(pentan-2-yloxy)phosphinic acid

C9H21O3P — CID 71328132

IUPACtert-butyl(pentan-2-yloxy)phosphinic acid
SMILESCCCC(C)OP(=O)(O)C(C)(C)C
InChIInChI=1S/C9H21O3P/c1-6-7-8(2)12-13(10,11)9(3,4)5/h8H,6-7H2,1-5H3,(H,10,11)
InChIKeyXSGWBTZROAULPX-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl(pentan-2-yloxy)phosphinic acid

tert-butyl(pentan-2-yloxy)phosphinic acid (PubChem CID 71328132) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is tert-butyl(pentan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nametert-butyl(pentan-2-yloxy)phosphinic acid
PubChem CID71328132
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Nametert-butyl(pentan-2-yloxy)phosphinic acid
SMILESCCCC(C)OP(=O)(O)C(C)(C)C
InChIInChI=1S/C9H21O3P/c1-6-7-8(2)12-13(10,11)9(3,4)5/h8H,6-7H2,1-5H3,(H,10,11)
InChIKeyXSGWBTZROAULPX-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
methyl pentan-2-yl hydrogen phosphate
CID 138486874
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
2-[amino(propan-2-yloxy)phosphoryl]oxypentane
CID 174170604
(3-hydroxy-2-methylhexan-2-yl)phosphonic acid
CID 174829705
diheptan-4-yl hydrogen phosphate
CID 22497552
heptan-4-yl dihydrogen phosphate
CID 18763997
butoxy(tert-butyl)phosphinic acid
CID 15271226
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethanamine
CID 130474468
tert-butyl(methoxy)phosphinic acid
CID 14945264

Frequently Asked Questions

What is the IUPAC name of tert-butyl(pentan-2-yloxy)phosphinic acid?
The IUPAC name of tert-butyl(pentan-2-yloxy)phosphinic acid (CID 71328132) is tert-butyl(pentan-2-yloxy)phosphinic acid.
What is the SMILES notation for tert-butyl(pentan-2-yloxy)phosphinic acid?
The canonical SMILES for tert-butyl(pentan-2-yloxy)phosphinic acid is CCCC(C)OP(=O)(O)C(C)(C)C.
What is the InChIKey of tert-butyl(pentan-2-yloxy)phosphinic acid?
The InChIKey is XSGWBTZROAULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-6-7-8(2)12-13(10,11)9(3,4)5/h8H,6-7H2,1-5H3,(H,10,11).
What are the key properties of tert-butyl(pentan-2-yloxy)phosphinic acid?
tert-butyl(pentan-2-yloxy)phosphinic acid has a molecular weight of 208.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(pentan-2-yloxy)phosphinic acid is sourced from PubChem (CID 71328132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).