2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane

C5H10ClO2PSe — CID 15621921

IUPAC2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(Cl)(=[Se])OC1
InChIInChI=1S/C5H10ClO2PSe/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3
InChIKeyDQPBFLYFKPNUOW-UHFFFAOYSA-N
MW247.52 g/mol
LogP2.14
Rot. Bonds

About 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane

2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 15621921) has the molecular formula C5H10ClO2PSe and a molecular weight of 247.52 g/mol. Its IUPAC name is 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID15621921
Molecular FormulaC5H10ClO2PSe
Molecular Weight247.52 g/mol
Exact Mass247.93
IUPAC Name2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(Cl)(=[Se])OC1
InChIInChI=1S/C5H10ClO2PSe/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3
InChIKeyDQPBFLYFKPNUOW-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane (CID 15621921) is 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane is CC1(C)COP(Cl)(=[Se])OC1.
What is the InChIKey of 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is DQPBFLYFKPNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2PSe/c1-5(2)3-7-9(6,10)8-4-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane?
2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 247.52 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-dimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 15621921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).