4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide

C6H10ClO3P — CID 23262892

IUPAC4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide
SMILESCCOP1(=O)OCC(Cl)=C1C
InChIInChI=1S/C6H10ClO3P/c1-3-9-11(8)5(2)6(7)4-10-11/h3-4H2,1-2H3
InChIKeyBHWXPAUJRMIKPJ-UHFFFAOYSA-N
MW196.57 g/mol
LogP2.72
Rot. Bonds2

About 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide

4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 23262892) has the molecular formula C6H10ClO3P and a molecular weight of 196.57 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide
PubChem CID23262892
Molecular FormulaC6H10ClO3P
Molecular Weight196.57 g/mol
Exact Mass196.01
IUPAC Name4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide
SMILESCCOP1(=O)OCC(Cl)=C1C
InChIInChI=1S/C6H10ClO3P/c1-3-9-11(8)5(2)6(7)4-10-11/h3-4H2,1-2H3
InChIKeyBHWXPAUJRMIKPJ-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.57
LogP ≤ 52.72
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 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide (CID 23262892) is 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide is CCOP1(=O)OCC(Cl)=C1C.
What is the InChIKey of 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is BHWXPAUJRMIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO3P/c1-3-9-11(8)5(2)6(7)4-10-11/h3-4H2,1-2H3.
What are the key properties of 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide?
4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 196.57 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-3-methyl-5H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 23262892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).