methane;2-methyl-1,3,2-dioxaphospholan-4-one

C4H9O3P — CID 161012948

IUPACmethane;2-methyl-1,3,2-dioxaphospholan-4-one
SMILESC.CP1OCC(=O)O1
InChIInChI=1S/C3H5O3P.CH4/c1-7-5-2-3(4)6-7;/h2H2,1H3;1H4
InChIKeyTXJBOQGMBBQEJL-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.14
Rot. Bonds

About methane;2-methyl-1,3,2-dioxaphospholan-4-one

methane;2-methyl-1,3,2-dioxaphospholan-4-one (PubChem CID 161012948) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is methane;2-methyl-1,3,2-dioxaphospholan-4-one.

Molecular Properties

Compound Namemethane;2-methyl-1,3,2-dioxaphospholan-4-one
PubChem CID161012948
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Namemethane;2-methyl-1,3,2-dioxaphospholan-4-one
SMILESC.CP1OCC(=O)O1
InChIInChI=1S/C3H5O3P.CH4/c1-7-5-2-3(4)6-7;/h2H2,1H3;1H4
InChIKeyTXJBOQGMBBQEJL-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.14
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 methane;2-methyl-1,3,2-dioxaphospholan-4-one?
The IUPAC name of methane;2-methyl-1,3,2-dioxaphospholan-4-one (CID 161012948) is methane;2-methyl-1,3,2-dioxaphospholan-4-one.
What is the SMILES notation for methane;2-methyl-1,3,2-dioxaphospholan-4-one?
The canonical SMILES for methane;2-methyl-1,3,2-dioxaphospholan-4-one is C.CP1OCC(=O)O1.
What is the InChIKey of methane;2-methyl-1,3,2-dioxaphospholan-4-one?
The InChIKey is TXJBOQGMBBQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3P.CH4/c1-7-5-2-3(4)6-7;/h2H2,1H3;1H4.
What are the key properties of methane;2-methyl-1,3,2-dioxaphospholan-4-one?
methane;2-methyl-1,3,2-dioxaphospholan-4-one has a molecular weight of 136.09 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1,3,2-dioxaphospholan-4-one is sourced from PubChem (CID 161012948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).