2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide

C9H19O4P — CID 12583349

IUPAC2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1OP(=O)(OCC(C)(C)C)OC1C
InChIInChI=1S/C9H19O4P/c1-7-8(2)13-14(10,12-7)11-6-9(3,4)5/h7-8H,6H2,1-5H3
InChIKeySRLLBYRSXILQJJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.98
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide

2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 12583349) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID12583349
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1OP(=O)(OCC(C)(C)C)OC1C
InChIInChI=1S/C9H19O4P/c1-7-8(2)13-14(10,12-7)11-6-9(3,4)5/h7-8H,6H2,1-5H3
InChIKeySRLLBYRSXILQJJ-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide (CID 12583349) is 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide is CC1OP(=O)(OCC(C)(C)C)OC1C.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is SRLLBYRSXILQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-7-8(2)13-14(10,12-7)11-6-9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide?
2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 222.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 12583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).