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

C10H21O4P — CID 87163824

IUPAC5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCOC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H21O4P/c1-5-6-12-9(2)15(11)13-7-10(3,4)8-14-15/h9H,5-8H2,1-4H3
InChIKeyIWQZZKGJCANXFW-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.03
Rot. Bonds4

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

5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 87163824) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID87163824
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCOC(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H21O4P/c1-5-6-12-9(2)15(11)13-7-10(3,4)8-14-15/h9H,5-8H2,1-4H3
InChIKeyIWQZZKGJCANXFW-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770
5,5-Dimethyl-2-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892818
2-Butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892819
2-Tert-butyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 23261978
2-(1-Ethoxyethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 54421653
2-(Dibutoxyphosphorylmethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 57641090
3,9-Diethyl-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 58879095
2-Butoxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 70914809
5,5-Dimethyl-2-propan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 86196070
3,9-Dipropyl-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 102139241
1-Diethoxyphosphoryl-1-ethoxy-2-methylpropane
CID 14685423
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-, 2-oxide
CID 547076

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 87163824) is 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide is CCCOC(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is IWQZZKGJCANXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-6-12-9(2)15(11)13-7-10(3,4)8-14-15/h9H,5-8H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 236.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1-propoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 87163824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).