2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C6H13O3P — CID 23418652

IUPAC2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)OP(C)(=O)O1
InChIInChI=1S/C6H13O3P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3
InChIKeyVQBCNGTUNIHBPO-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.02
Rot. Bonds

About 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23418652) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23418652
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)OP(C)(=O)O1
InChIInChI=1S/C6H13O3P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3
InChIKeyVQBCNGTUNIHBPO-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23418652) is 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1CC(C)OP(C)(=O)O1.
What is the InChIKey of 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is VQBCNGTUNIHBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 164.14 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23418652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).