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

C8H19O3P — CID 118610091

IUPACbutan-2-yloxy(tert-butyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P/c1-6-7(2)11-12(9,10)8(3,4)5/h7H,6H2,1-5H3,(H,9,10)
InChIKeyZDRVSFGWDUQIHW-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.79
Rot. Bonds3

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

butan-2-yloxy(tert-butyl)phosphinic acid (PubChem CID 118610091) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is butan-2-yloxy(tert-butyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy(tert-butyl)phosphinic acid
PubChem CID118610091
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Namebutan-2-yloxy(tert-butyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P/c1-6-7(2)11-12(9,10)8(3,4)5/h7H,6H2,1-5H3,(H,9,10)
InChIKeyZDRVSFGWDUQIHW-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.79
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

tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
tributan-2-yl phosphate
CID 11482502
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
CID 87905295
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
butan-2-yl dipropan-2-yl phosphate
CID 71379379
dipotassium;butan-2-yl phosphate
CID 21353345
butan-2-yloxy(4-diethoxyphosphorylhepta-1,6-diyn-4-yl)phosphinic acid
CID 75530029
butan-2-yloxy(cyclopropyl)phosphinic acid
CID 87173163
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
(4-amino-1-ethoxy-1-phosphorosobutyl)-butan-2-yloxyphosphinic acid
CID 87872089
butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
CID 87842087

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy(tert-butyl)phosphinic acid?
The IUPAC name of butan-2-yloxy(tert-butyl)phosphinic acid (CID 118610091) is butan-2-yloxy(tert-butyl)phosphinic acid.
What is the SMILES notation for butan-2-yloxy(tert-butyl)phosphinic acid?
The canonical SMILES for butan-2-yloxy(tert-butyl)phosphinic acid is CCC(C)OP(=O)(O)C(C)(C)C.
What is the InChIKey of butan-2-yloxy(tert-butyl)phosphinic acid?
The InChIKey is ZDRVSFGWDUQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-6-7(2)11-12(9,10)8(3,4)5/h7H,6H2,1-5H3,(H,9,10).
What are the key properties of butan-2-yloxy(tert-butyl)phosphinic acid?
butan-2-yloxy(tert-butyl)phosphinic acid has a molecular weight of 194.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(tert-butyl)phosphinic acid is sourced from PubChem (CID 118610091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).