4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide

C7H15O2P — CID 58891721

IUPAC4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide
SMILESCC(C)P1(=O)CCOCC1
InChIInChI=1S/C7H15O2P/c1-7(2)10(8)5-3-9-4-6-10/h7H,3-6H2,1-2H3
InChIKeyZQGSBWXHPDLBNC-UHFFFAOYSA-N
MW162.17 g/mol
LogP1.79
Rot. Bonds1

About 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide

4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide (PubChem CID 58891721) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide.

Molecular Properties

Compound Name4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide
PubChem CID58891721
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide
SMILESCC(C)P1(=O)CCOCC1
InChIInChI=1S/C7H15O2P/c1-7(2)10(8)5-3-9-4-6-10/h7H,3-6H2,1-2H3
InChIKeyZQGSBWXHPDLBNC-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 51.79
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 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide?
The IUPAC name of 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide (CID 58891721) is 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide.
What is the SMILES notation for 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide?
The canonical SMILES for 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide is CC(C)P1(=O)CCOCC1.
What is the InChIKey of 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide?
The InChIKey is ZQGSBWXHPDLBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-7(2)10(8)5-3-9-4-6-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide?
4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide has a molecular weight of 162.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide is sourced from PubChem (CID 58891721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).