2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C4H8ClO3P — CID 12754326

IUPAC2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CCOP(=O)(Cl)O1
InChIInChI=1S/C4H8ClO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKeyCKQBVICKGPLUFZ-UHFFFAOYSA-N
MW170.53 g/mol
LogP2.16
Rot. Bonds

About 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 12754326) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID12754326
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Name2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CCOP(=O)(Cl)O1
InChIInChI=1S/C4H8ClO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKeyCKQBVICKGPLUFZ-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 52.16
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 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 12754326) is 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1CCOP(=O)(Cl)O1.
What is the InChIKey of 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is CKQBVICKGPLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 170.53 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 12754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).