1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane

C13H42O3P2 — CID 160513005

IUPAC1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
SMILESC.C.C.C.C.CCOP(C)(C)=O.CCP(C)(C)=O
InChIInChI=1S/C4H11O2P.C4H11OP.5CH4/c1-4-6-7(2,3)5;1-4-6(2,3)5;;;;;/h4H2,1-3H3;4H2,1-3H3;5*1H4
InChIKeyQTHCQWSYGDRIJP-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.37
Rot. Bonds3

About 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane

1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane (PubChem CID 160513005) has the molecular formula C13H42O3P2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane.

Molecular Properties

Compound Name1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
PubChem CID160513005
Molecular FormulaC13H42O3P2
Molecular Weight308.42 g/mol
Exact Mass308.26
IUPAC Name1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
SMILESC.C.C.C.C.CCOP(C)(C)=O.CCP(C)(C)=O
InChIInChI=1S/C4H11O2P.C4H11OP.5CH4/c1-4-6-7(2,3)5;1-4-6(2,3)5;;;;;/h4H2,1-3H3;4H2,1-3H3;5*1H4
InChIKeyQTHCQWSYGDRIJP-UHFFFAOYSA-N
XLogP6.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 87274277
CID 87274277
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
CID 101187988
CID 101187988
diaminophosphoryloxyethane
CID 12620494
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
tetrasodium ethyl phosphate
CID 141178132
CID 131882906
CID 131882906
disodium;ethyl phosphate
CID 11970393
butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane
CID 159148662
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
diethyl phosphoroso phosphate
CID 175016516
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane?
The IUPAC name of 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane (CID 160513005) is 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane.
What is the SMILES notation for 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane?
The canonical SMILES for 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane is C.C.C.C.C.CCOP(C)(C)=O.CCP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane?
The InChIKey is QTHCQWSYGDRIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2P.C4H11OP.5CH4/c1-4-6-7(2,3)5;1-4-6(2,3)5;;;;;/h4H2,1-3H3;4H2,1-3H3;5*1H4.
What are the key properties of 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane?
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane has a molecular weight of 308.42 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane is sourced from PubChem (CID 160513005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).