lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane

C5H12LiO3P — CID 11829705

IUPAClithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane
SMILES[CH2-]P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C5H12O3P.Li/c1-4-7-9(3,6)8-5-2;/h3-5H2,1-2H3;/q-1;+1
InChIKeyVNQFQBRGJXJVMC-UHFFFAOYSA-N
MW158.06 g/mol
LogP-0.95
Rot. Bonds4

About lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane

lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane (PubChem CID 11829705) has the molecular formula C5H12LiO3P and a molecular weight of 158.06 g/mol. Its IUPAC name is lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane.

Molecular Properties

Compound Namelithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane
PubChem CID11829705
Molecular FormulaC5H12LiO3P
Molecular Weight158.06 g/mol
Exact Mass158.07
IUPAC Namelithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane
SMILES[CH2-]P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C5H12O3P.Li/c1-4-7-9(3,6)8-5-2;/h3-5H2,1-2H3;/q-1;+1
InChIKeyVNQFQBRGJXJVMC-UHFFFAOYSA-N
XLogP-0.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl methylphosphonate
CID 449085
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Diethyl methylphosphonite
CID 85063
Diethyl phosphoric acid
CID 5166299
Ethyl methyl ethylphosphonate
CID 79183
Butyl methylphosphinate
CID 10877172
Ethyl methylphosphinate
CID 6328184
Diethyl (iodomethyl)phosphonate
CID 82616

Frequently Asked Questions

What is the IUPAC name of lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane?
The IUPAC name of lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane (CID 11829705) is lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane.
What is the SMILES notation for lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane?
The canonical SMILES for lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane is [CH2-]P(=O)(OCC)OCC.[Li+].
What is the InChIKey of lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane?
The InChIKey is VNQFQBRGJXJVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3P.Li/c1-4-7-9(3,6)8-5-2;/h3-5H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane?
lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane has a molecular weight of 158.06 g/mol, XLogP of -0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[ethoxy(methanidyl)phosphoryl]oxyethane is sourced from PubChem (CID 11829705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).