ethane;2-propan-2-yloxybutoxyphosphinous acid

C9H23O3P — CID 144871548

IUPACethane;2-propan-2-yloxybutoxyphosphinous acid
SMILESCC.CCC(COPO)OC(C)C
InChIInChI=1S/C7H17O3P.C2H6/c1-4-7(5-9-11-8)10-6(2)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyCEASNSZUSMNUIA-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.73
Rot. Bonds6

About ethane;2-propan-2-yloxybutoxyphosphinous acid

ethane;2-propan-2-yloxybutoxyphosphinous acid (PubChem CID 144871548) has the molecular formula C9H23O3P and a molecular weight of 210.25 g/mol. Its IUPAC name is ethane;2-propan-2-yloxybutoxyphosphinous acid.

Molecular Properties

Compound Nameethane;2-propan-2-yloxybutoxyphosphinous acid
PubChem CID144871548
Molecular FormulaC9H23O3P
Molecular Weight210.25 g/mol
Exact Mass210.14
IUPAC Nameethane;2-propan-2-yloxybutoxyphosphinous acid
SMILESCC.CCC(COPO)OC(C)C
InChIInChI=1S/C7H17O3P.C2H6/c1-4-7(5-9-11-8)10-6(2)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyCEASNSZUSMNUIA-UHFFFAOYSA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yloxybutoxyphosphinous acid?
The IUPAC name of ethane;2-propan-2-yloxybutoxyphosphinous acid (CID 144871548) is ethane;2-propan-2-yloxybutoxyphosphinous acid.
What is the SMILES notation for ethane;2-propan-2-yloxybutoxyphosphinous acid?
The canonical SMILES for ethane;2-propan-2-yloxybutoxyphosphinous acid is CC.CCC(COPO)OC(C)C.
What is the InChIKey of ethane;2-propan-2-yloxybutoxyphosphinous acid?
The InChIKey is CEASNSZUSMNUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P.C2H6/c1-4-7(5-9-11-8)10-6(2)3;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-propan-2-yloxybutoxyphosphinous acid?
ethane;2-propan-2-yloxybutoxyphosphinous acid has a molecular weight of 210.25 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yloxybutoxyphosphinous acid is sourced from PubChem (CID 144871548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).