2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C11H23O5P — CID 59356188

IUPAC2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H23O5P/c1-4-5-6-13-7-8-14-17(12)15-9-11(2,3)10-16-17/h4-10H2,1-3H3
InChIKeyFJZGEZCVHWOQSX-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.00
Rot. Bonds7

About 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 59356188) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID59356188
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Name2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C11H23O5P/c1-4-5-6-13-7-8-14-17(12)15-9-11(2,3)10-16-17/h4-10H2,1-3H3
InChIKeyFJZGEZCVHWOQSX-UHFFFAOYSA-N
XLogP3.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-Butoxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 70914809
2-(2-Butoxyethoxy)ethyl phosphate
CID 20026929
CID 139596269
CID 139596269
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-, 2-oxide
CID 547076
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-
CID 591931
9-Oxo-5,8,10,13-tetraoxa-9-phosphoniaheptadecane
CID 6327789
2-(2-Ethoxyethoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 19612310
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]ethanol
CID 53694405
Butyl bis(2-ethoxyethyl) phosphate
CID 53914312
1-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]propan-2-ol
CID 53948029
2-(2,2-Dimethylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 57540857
5,5-Dimethyl-2-(2-propoxyethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 57957038

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 59356188) is 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCCCOCCOP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is FJZGEZCVHWOQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P/c1-4-5-6-13-7-8-14-17(12)15-9-11(2,3)10-16-17/h4-10H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 266.27 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 59356188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).