4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide

C7H10ClOP — CID 10942999

IUPAC4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide
SMILESCC1=CP(C)(=O)CC=C1Cl
InChIInChI=1S/C7H10ClOP/c1-6-5-10(2,9)4-3-7(6)8/h3,5H,4H2,1-2H3
InChIKeyJDYMBOQYLFRHEM-UHFFFAOYSA-N
MW176.58 g/mol
LogP3.02
Rot. Bonds

About 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide

4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide (PubChem CID 10942999) has the molecular formula C7H10ClOP and a molecular weight of 176.58 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide
PubChem CID10942999
Molecular FormulaC7H10ClOP
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide
SMILESCC1=CP(C)(=O)CC=C1Cl
InChIInChI=1S/C7H10ClOP/c1-6-5-10(2,9)4-3-7(6)8/h3,5H,4H2,1-2H3
InChIKeyJDYMBOQYLFRHEM-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide (CID 10942999) is 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide is CC1=CP(C)(=O)CC=C1Cl.
What is the InChIKey of 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide?
The InChIKey is JDYMBOQYLFRHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClOP/c1-6-5-10(2,9)4-3-7(6)8/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide?
4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide has a molecular weight of 176.58 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-2H-1λ5-phosphinine 1-oxide is sourced from PubChem (CID 10942999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).