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

C5H9O3P — CID 149053753

IUPAC2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=C1CCOP(C)(=O)O1
InChIInChI=1S/C5H9O3P/c1-5-3-4-7-9(2,6)8-5/h1,3-4H2,2H3
InChIKeyQKHZZMWJHZMOPQ-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.76
Rot. Bonds

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

2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 149053753) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID149053753
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Name2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=C1CCOP(C)(=O)O1
InChIInChI=1S/C5H9O3P/c1-5-3-4-7-9(2,6)8-5/h1,3-4H2,2H3
InChIKeyQKHZZMWJHZMOPQ-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.76
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-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide (CID 149053753) is 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide is C=C1CCOP(C)(=O)O1.
What is the InChIKey of 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is QKHZZMWJHZMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c1-5-3-4-7-9(2,6)8-5/h1,3-4H2,2H3.
What are the key properties of 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide?
2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 148.10 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 149053753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).