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

C6H17O3P — CID 160609586

IUPACmethane;2-methyl-1,3,2-dioxaphospholan-4-one
SMILESC.C.C.CP1OCC(=O)O1
InChIInChI=1S/C3H5O3P.3CH4/c1-7-5-2-3(4)6-7;;;/h2H2,1H3;3*1H4
InChIKeyRFILLVCXIUNAHY-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.41
Rot. Bonds

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

methane;2-methyl-1,3,2-dioxaphospholan-4-one (PubChem CID 160609586) has the molecular formula C6H17O3P and a molecular weight of 168.17 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 CID160609586
Molecular FormulaC6H17O3P
Molecular Weight168.17 g/mol
Exact Mass168.09
IUPAC Namemethane;2-methyl-1,3,2-dioxaphospholan-4-one
SMILESC.C.C.CP1OCC(=O)O1
InChIInChI=1S/C3H5O3P.3CH4/c1-7-5-2-3(4)6-7;;;/h2H2,1H3;3*1H4
InChIKeyRFILLVCXIUNAHY-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.41
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 160609586) 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.C.C.CP1OCC(=O)O1.
What is the InChIKey of methane;2-methyl-1,3,2-dioxaphospholan-4-one?
The InChIKey is RFILLVCXIUNAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3P.3CH4/c1-7-5-2-3(4)6-7;;;/h2H2,1H3;3*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 168.17 g/mol, XLogP of 2.41, 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 160609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).