diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane

C41H94O7P4 — CID 167710657

IUPACdiethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane
SMILESCCP(CC)CCOC(C)C.CCP(CC)CCOCCOC(C)C.CCP(CC)CCOCCOCCOC(C)C.CCP(CC)COC(C)C
InChIInChI=1S/C13H29O3P.C11H25O2P.C9H21OP.C8H19OP/c1-5-17(6-2)12-11-15-8-7-14-9-10-16-13(3)4;1-5-14(6-2)10-9-12-7-8-13-11(3)4;1-5-11(6-2)8-7-10-9(3)4;1-5-10(6-2)7-9-8(3)4/h13H,5-12H2,1-4H3;11H,5-10H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyZUEOFAJMPNWYLJ-UHFFFAOYSA-N
MW823.09 g/mol
LogP11.74
Rot. Bonds32

About diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane

diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane (PubChem CID 167710657) has the molecular formula C41H94O7P4 and a molecular weight of 823.09 g/mol. Its IUPAC name is diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane.

Molecular Properties

Compound Namediethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane
PubChem CID167710657
Molecular FormulaC41H94O7P4
Molecular Weight823.09 g/mol
Exact Mass822.60
IUPAC Namediethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane
SMILESCCP(CC)CCOC(C)C.CCP(CC)CCOCCOC(C)C.CCP(CC)CCOCCOCCOC(C)C.CCP(CC)COC(C)C
InChIInChI=1S/C13H29O3P.C11H25O2P.C9H21OP.C8H19OP/c1-5-17(6-2)12-11-15-8-7-14-9-10-16-13(3)4;1-5-14(6-2)10-9-12-7-8-13-11(3)4;1-5-11(6-2)8-7-10-9(3)4;1-5-10(6-2)7-9-8(3)4/h13H,5-12H2,1-4H3;11H,5-10H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyZUEOFAJMPNWYLJ-UHFFFAOYSA-N
XLogP11.74
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.09
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane?
The IUPAC name of diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane (CID 167710657) is diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane.
What is the SMILES notation for diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane?
The canonical SMILES for diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane is CCP(CC)CCOC(C)C.CCP(CC)CCOCCOC(C)C.CCP(CC)CCOCCOCCOC(C)C.CCP(CC)COC(C)C.
What is the InChIKey of diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane?
The InChIKey is ZUEOFAJMPNWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P.C11H25O2P.C9H21OP.C8H19OP/c1-5-17(6-2)12-11-15-8-7-14-9-10-16-13(3)4;1-5-14(6-2)10-9-12-7-8-13-11(3)4;1-5-11(6-2)8-7-10-9(3)4;1-5-10(6-2)7-9-8(3)4/h13H,5-12H2,1-4H3;11H,5-10H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane?
diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane has a molecular weight of 823.09 g/mol, XLogP of 11.74, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]phosphane;diethyl-[2-(2-propan-2-yloxyethoxy)ethyl]phosphane;diethyl(2-propan-2-yloxyethyl)phosphane;diethyl(propan-2-yloxymethyl)phosphane is sourced from PubChem (CID 167710657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).