4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide

C7H12ClO2P — CID 10932337

IUPAC4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
SMILESCOP1(=O)CCC(Cl)=C(C)C1
InChIInChI=1S/C7H12ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3-5H2,1-2H3
InChIKeyMOBUVYJNDPCQAG-UHFFFAOYSA-N
MW194.60 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide

4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide (PubChem CID 10932337) has the molecular formula C7H12ClO2P and a molecular weight of 194.60 g/mol. Its IUPAC name is 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
PubChem CID10932337
Molecular FormulaC7H12ClO2P
Molecular Weight194.60 g/mol
Exact Mass194.03
IUPAC Name4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
SMILESCOP1(=O)CCC(Cl)=C(C)C1
InChIInChI=1S/C7H12ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3-5H2,1-2H3
InChIKeyMOBUVYJNDPCQAG-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.60
LogP ≤ 52.83
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-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide (CID 10932337) is 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide is COP1(=O)CCC(Cl)=C(C)C1.
What is the InChIKey of 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide?
The InChIKey is MOBUVYJNDPCQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3-5H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide?
4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide has a molecular weight of 194.60 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide is sourced from PubChem (CID 10932337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).