5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide

C11H24O6P2 — CID 54508345

IUPAC5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
SMILESCCOP1(=O)OC(P(=O)(OCC)OCC)C(C)C1C
InChIInChI=1S/C11H24O6P2/c1-6-14-18(12)10(5)9(4)11(17-18)19(13,15-7-2)16-8-3/h9-11H,6-8H2,1-5H3
InChIKeyYHIFPOSBXFKNID-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.86
Rot. Bonds7

About 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide

5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide (PubChem CID 54508345) has the molecular formula C11H24O6P2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
PubChem CID54508345
Molecular FormulaC11H24O6P2
Molecular Weight314.26 g/mol
Exact Mass314.10
IUPAC Name5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
SMILESCCOP1(=O)OC(P(=O)(OCC)OCC)C(C)C1C
InChIInChI=1S/C11H24O6P2/c1-6-14-18(12)10(5)9(4)11(17-18)19(13,15-7-2)16-8-3/h9-11H,6-8H2,1-5H3
InChIKeyYHIFPOSBXFKNID-UHFFFAOYSA-N
XLogP3.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The IUPAC name of 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide (CID 54508345) is 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide.
What is the SMILES notation for 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The canonical SMILES for 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide is CCOP1(=O)OC(P(=O)(OCC)OCC)C(C)C1C.
What is the InChIKey of 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The InChIKey is YHIFPOSBXFKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6P2/c1-6-14-18(12)10(5)9(4)11(17-18)19(13,15-7-2)16-8-3/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide has a molecular weight of 314.26 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2-ethoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide is sourced from PubChem (CID 54508345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).