2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide

C6H13O2P — CID 21406652

IUPAC2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
SMILESCC1CCOP(C)(=O)C1
InChIInChI=1S/C6H13O2P/c1-6-3-4-8-9(2,7)5-6/h6H,3-5H2,1-2H3
InChIKeyRVMLRUUUUJGSBI-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.95
Rot. Bonds

About 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide

2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 21406652) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
PubChem CID21406652
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
SMILESCC1CCOP(C)(=O)C1
InChIInChI=1S/C6H13O2P/c1-6-3-4-8-9(2,7)5-6/h6H,3-5H2,1-2H3
InChIKeyRVMLRUUUUJGSBI-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide (CID 21406652) is 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide is CC1CCOP(C)(=O)C1.
What is the InChIKey of 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is RVMLRUUUUJGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-6-3-4-8-9(2,7)5-6/h6H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 148.14 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 21406652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).