tert-butyl(2-cyanoethoxy)phosphinous acid

C7H14NO2P — CID 90741308

IUPACtert-butyl(2-cyanoethoxy)phosphinous acid
SMILESCC(C)(C)P(O)OCCC#N
InChIInChI=1S/C7H14NO2P/c1-7(2,3)11(9)10-6-4-5-8/h9H,4,6H2,1-3H3
InChIKeyCRTVBFLMYGCCDM-UHFFFAOYSA-N
MW175.17 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl(2-cyanoethoxy)phosphinous acid

tert-butyl(2-cyanoethoxy)phosphinous acid (PubChem CID 90741308) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is tert-butyl(2-cyanoethoxy)phosphinous acid.

Molecular Properties

Compound Nametert-butyl(2-cyanoethoxy)phosphinous acid
PubChem CID90741308
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Nametert-butyl(2-cyanoethoxy)phosphinous acid
SMILESCC(C)(C)P(O)OCCC#N
InChIInChI=1S/C7H14NO2P/c1-7(2,3)11(9)10-6-4-5-8/h9H,4,6H2,1-3H3
InChIKeyCRTVBFLMYGCCDM-UHFFFAOYSA-N
XLogP2.02
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
5-aminooxypentyl 2-cyanoethyl hydrogen phosphite
CID 118258570
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
3-methoxypropanenitrile
CID 161061289
2-cyanoethyl 2,2,3,3-tetramethylbutanoate
CID 20593685
3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
CID 144952761

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-cyanoethoxy)phosphinous acid?
The IUPAC name of tert-butyl(2-cyanoethoxy)phosphinous acid (CID 90741308) is tert-butyl(2-cyanoethoxy)phosphinous acid.
What is the SMILES notation for tert-butyl(2-cyanoethoxy)phosphinous acid?
The canonical SMILES for tert-butyl(2-cyanoethoxy)phosphinous acid is CC(C)(C)P(O)OCCC#N.
What is the InChIKey of tert-butyl(2-cyanoethoxy)phosphinous acid?
The InChIKey is CRTVBFLMYGCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-7(2,3)11(9)10-6-4-5-8/h9H,4,6H2,1-3H3.
What are the key properties of tert-butyl(2-cyanoethoxy)phosphinous acid?
tert-butyl(2-cyanoethoxy)phosphinous acid has a molecular weight of 175.17 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-cyanoethoxy)phosphinous acid is sourced from PubChem (CID 90741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).