2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane

C3H7O2P — CID 174068017

IUPAC2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane
SMILESC=P1(C)OCO1
InChIInChI=1S/C3H7O2P/c1-6(2)4-3-5-6/h1,3H2,2H3
InChIKeyGTKDQQGJAYCZSN-UHFFFAOYSA-N
MW106.06 g/mol
LogP0.90
Rot. Bonds

About 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane

2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane (PubChem CID 174068017) has the molecular formula C3H7O2P and a molecular weight of 106.06 g/mol. Its IUPAC name is 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane.

Molecular Properties

Compound Name2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane
PubChem CID174068017
Molecular FormulaC3H7O2P
Molecular Weight106.06 g/mol
Exact Mass106.02
IUPAC Name2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane
SMILESC=P1(C)OCO1
InChIInChI=1S/C3H7O2P/c1-6(2)4-3-5-6/h1,3H2,2H3
InChIKeyGTKDQQGJAYCZSN-UHFFFAOYSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.06
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-methylidene-1,3,2λ5-dioxaphosphetane?
The IUPAC name of 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane (CID 174068017) is 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane.
What is the SMILES notation for 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane?
The canonical SMILES for 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane is C=P1(C)OCO1.
What is the InChIKey of 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane?
The InChIKey is GTKDQQGJAYCZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P/c1-6(2)4-3-5-6/h1,3H2,2H3.
What are the key properties of 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane?
2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane has a molecular weight of 106.06 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylidene-1,3,2λ5-dioxaphosphetane is sourced from PubChem (CID 174068017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).