2-cyanoethyl dipropan-2-yl phosphite

C9H18NO3P — CID 22619650

IUPAC2-cyanoethyl dipropan-2-yl phosphite
SMILESCC(C)OP(OCCC#N)OC(C)C
InChIInChI=1S/C9H18NO3P/c1-8(2)12-14(13-9(3)4)11-7-5-6-10/h8-9H,5,7H2,1-4H3
InChIKeyLVCLHUMNSHFOBL-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.99
Rot. Bonds7

About 2-cyanoethyl dipropan-2-yl phosphite

2-cyanoethyl dipropan-2-yl phosphite (PubChem CID 22619650) has the molecular formula C9H18NO3P and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-cyanoethyl dipropan-2-yl phosphite.

Molecular Properties

Compound Name2-cyanoethyl dipropan-2-yl phosphite
PubChem CID22619650
Molecular FormulaC9H18NO3P
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Name2-cyanoethyl dipropan-2-yl phosphite
SMILESCC(C)OP(OCCC#N)OC(C)C
InChIInChI=1S/C9H18NO3P/c1-8(2)12-14(13-9(3)4)11-7-5-6-10/h8-9H,5,7H2,1-4H3
InChIKeyLVCLHUMNSHFOBL-UHFFFAOYSA-N
XLogP2.99
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite
CID 11844850
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
3-(1-bromoethoxy)propanenitrile
CID 151174182

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl dipropan-2-yl phosphite?
The IUPAC name of 2-cyanoethyl dipropan-2-yl phosphite (CID 22619650) is 2-cyanoethyl dipropan-2-yl phosphite.
What is the SMILES notation for 2-cyanoethyl dipropan-2-yl phosphite?
The canonical SMILES for 2-cyanoethyl dipropan-2-yl phosphite is CC(C)OP(OCCC#N)OC(C)C.
What is the InChIKey of 2-cyanoethyl dipropan-2-yl phosphite?
The InChIKey is LVCLHUMNSHFOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3P/c1-8(2)12-14(13-9(3)4)11-7-5-6-10/h8-9H,5,7H2,1-4H3.
What are the key properties of 2-cyanoethyl dipropan-2-yl phosphite?
2-cyanoethyl dipropan-2-yl phosphite has a molecular weight of 219.22 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl dipropan-2-yl phosphite is sourced from PubChem (CID 22619650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).