2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

C8H17O4P — CID 591931

IUPAC2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCOCCOP1OCC(C)(C)CO1
InChIInChI=1S/C8H17O4P/c1-8(2)6-11-13(12-7-8)10-5-4-9-3/h4-7H2,1-3H3
InChIKeyMBUGOAMMRZPERC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 591931) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID591931
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCOCCOP1OCC(C)(C)CO1
InChIInChI=1S/C8H17O4P/c1-8(2)6-11-13(12-7-8)10-5-4-9-3/h4-7H2,1-3H3
InChIKeyMBUGOAMMRZPERC-UHFFFAOYSA-N
XLogP1.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 591931) is 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is COCCOP1OCC(C)(C)CO1.
What is the InChIKey of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is MBUGOAMMRZPERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-8(2)6-11-13(12-7-8)10-5-4-9-3/h4-7H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 208.19 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 591931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).