1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane

C6H16O2P2 — CID 59872504

IUPAC1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane
SMILESCCP(C)(=O)CP(C)(C)=O
InChIInChI=1S/C6H16O2P2/c1-5-10(4,8)6-9(2,3)7/h5-6H2,1-4H3
InChIKeyWVCUOAPKUQKNQX-UHFFFAOYSA-N
MW182.14 g/mol
LogP2.58
Rot. Bonds3

About 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane

1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane (PubChem CID 59872504) has the molecular formula C6H16O2P2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane.

Molecular Properties

Compound Name1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane
PubChem CID59872504
Molecular FormulaC6H16O2P2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane
SMILESCCP(C)(=O)CP(C)(C)=O
InChIInChI=1S/C6H16O2P2/c1-5-10(4,8)6-9(2,3)7/h5-6H2,1-4H3
InChIKeyWVCUOAPKUQKNQX-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethylphosphinic acid
CID 123698390
bis(diethylphosphinic acid);zinc
CID 91997271
2-[ethyl(methyl)phosphoryl]-N-methylethanamine
CID 174243020
3-diethylphosphorylprop-1-ene
CID 13431646
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068
[ethyl(methyl)phosphoryl]formic acid
CID 87463056
1,2-bis(diethylphosphoryl)ethane
CID 22892167
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
ethylphosphonic acid;phosphoric acid
CID 87124135
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
diethylphosphinate
CID 159335352

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane?
The IUPAC name of 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane (CID 59872504) is 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane.
What is the SMILES notation for 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane?
The canonical SMILES for 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane is CCP(C)(=O)CP(C)(C)=O.
What is the InChIKey of 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane?
The InChIKey is WVCUOAPKUQKNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2P2/c1-5-10(4,8)6-9(2,3)7/h5-6H2,1-4H3.
What are the key properties of 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane?
1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane has a molecular weight of 182.14 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylphosphorylmethyl(methyl)phosphoryl]ethane is sourced from PubChem (CID 59872504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).