2-propan-2-yloxybutoxyphosphinous acid

C7H17O3P — CID 144871549

IUPAC2-propan-2-yloxybutoxyphosphinous acid
SMILESCCC(COPO)OC(C)C
InChIInChI=1S/C7H17O3P/c1-4-7(5-9-11-8)10-6(2)3/h6-8,11H,4-5H2,1-3H3
InChIKeyOTYRERFMGUSQOB-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.71
Rot. Bonds6

About 2-propan-2-yloxybutoxyphosphinous acid

2-propan-2-yloxybutoxyphosphinous acid (PubChem CID 144871549) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-propan-2-yloxybutoxyphosphinous acid.

Molecular Properties

Compound Name2-propan-2-yloxybutoxyphosphinous acid
PubChem CID144871549
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name2-propan-2-yloxybutoxyphosphinous acid
SMILESCCC(COPO)OC(C)C
InChIInChI=1S/C7H17O3P/c1-4-7(5-9-11-8)10-6(2)3/h6-8,11H,4-5H2,1-3H3
InChIKeyOTYRERFMGUSQOB-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butoxypropan-2-yl dihydrogen phosphate
CID 11063743
Ethoxy-hydroxy-(2-propan-2-yloxyethoxy)-sulfanylidene-lambda5-phosphane
CID 21520518
(1-Ethoxy-3-methoxypropan-2-yl)oxy-methoxyphosphane
CID 54121938
1-(1-Phosphanyloxypropan-2-yloxy)propan-2-yloxyphosphane
CID 59288653
2-(1-Phosphanyloxypropan-2-yloxy)propoxyphosphane
CID 59288688
1-(2-Phosphanyloxypropoxy)propan-2-yloxyphosphane
CID 59288691
CID 60040924
CID 60040924
CID 60040926
CID 60040926
2-Methoxybutoxyphosphane
CID 89011772
1-(1-Dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite
CID 91479739
2-Butoxyethoxyphosphinous acid
CID 132067051
Ethane;2-propan-2-yloxybutoxyphosphinous acid
CID 144871548

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybutoxyphosphinous acid?
The IUPAC name of 2-propan-2-yloxybutoxyphosphinous acid (CID 144871549) is 2-propan-2-yloxybutoxyphosphinous acid.
What is the SMILES notation for 2-propan-2-yloxybutoxyphosphinous acid?
The canonical SMILES for 2-propan-2-yloxybutoxyphosphinous acid is CCC(COPO)OC(C)C.
What is the InChIKey of 2-propan-2-yloxybutoxyphosphinous acid?
The InChIKey is OTYRERFMGUSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-7(5-9-11-8)10-6(2)3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yloxybutoxyphosphinous acid?
2-propan-2-yloxybutoxyphosphinous acid has a molecular weight of 180.18 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybutoxyphosphinous acid is sourced from PubChem (CID 144871549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).