4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide

C8H14ClO2P — CID 15360139

IUPAC4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESCCOP1(=O)CCC(Cl)=C(C)C1
InChIInChI=1S/C8H14ClO2P/c1-3-11-12(10)5-4-8(9)7(2)6-12/h3-6H2,1-2H3
InChIKeyYZKXFKPBMQXKEK-UHFFFAOYSA-N
MW208.62 g/mol
LogP3.22
Rot. Bonds2

About 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide

4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide (PubChem CID 15360139) has the molecular formula C8H14ClO2P and a molecular weight of 208.62 g/mol. Its IUPAC name is 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
PubChem CID15360139
Molecular FormulaC8H14ClO2P
Molecular Weight208.62 g/mol
Exact Mass208.04
IUPAC Name4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESCCOP1(=O)CCC(Cl)=C(C)C1
InChIInChI=1S/C8H14ClO2P/c1-3-11-12(10)5-4-8(9)7(2)6-12/h3-6H2,1-2H3
InChIKeyYZKXFKPBMQXKEK-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-ethoxy-3,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 372643
4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide
CID 372644
4-Chloro-3-diethylphosphono-5-methyl-1-ethoxy-1,3,6-tetrahydrophosphinine-1-oxide
CID 12030676
4-Chloro-3-phosphono-5-methyl-1-ethoxy-1,3,6-tetrahydrophosphinine-1-oxide
CID 45028646
4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 10932337
4-Chloro-1-methoxy-3,5-dimethyl-1,2-dihydro-1lambda~5~-phosphinin-1-one
CID 13811068
4-chloro-1-ethoxy-3-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 85766530
4-chloro-1-ethoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 11106545
4-chloro-3-dimethoxyphosphoryl-1-ethoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 12030675
(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene
CID 23272374
(3R)-4-chloro-3-dimethoxyphosphoryl-1-ethoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 102217026
(3R)-4-chloro-3-diethoxyphosphoryl-1-ethoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 102217027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide (CID 15360139) is 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide is CCOP1(=O)CCC(Cl)=C(C)C1.
What is the InChIKey of 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
The InChIKey is YZKXFKPBMQXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClO2P/c1-3-11-12(10)5-4-8(9)7(2)6-12/h3-6H2,1-2H3.
What are the key properties of 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide?
4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide has a molecular weight of 208.62 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1λ5-phosphinine 1-oxide is sourced from PubChem (CID 15360139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).