1-[deuterio(ethyl)(2H)phosphoryl]oxyethane

C4H11O2P — CID 175872075

IUPAC1-[deuterio(ethyl)(2H)phosphoryl]oxyethane
SMILES[2H]P(=O)(CC)OCC
InChIInChI=1S/C4H11O2P/c1-3-6-7(5)4-2/h7H,3-4H2,1-2H3/i7D
InChIKeyRKXDVGYSGPCUTF-WHRKIXHSSA-N
MW123.11 g/mol
LogP1.52
Rot. Bonds3

About 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane

1-[deuterio(ethyl)(2H)phosphoryl]oxyethane (PubChem CID 175872075) has the molecular formula C4H11O2P and a molecular weight of 123.11 g/mol. Its IUPAC name is 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[deuterio(ethyl)(2H)phosphoryl]oxyethane
PubChem CID175872075
Molecular FormulaC4H11O2P
Molecular Weight123.11 g/mol
Exact Mass123.06
IUPAC Name1-[deuterio(ethyl)(2H)phosphoryl]oxyethane
SMILES[2H]P(=O)(CC)OCC
InChIInChI=1S/C4H11O2P/c1-3-6-7(5)4-2/h7H,3-4H2,1-2H3/i7D
InChIKeyRKXDVGYSGPCUTF-WHRKIXHSSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 51.52
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

deuterio(ethoxy)phosphinic acid
CID 175700042
CID 174767435
CID 174767435
diethoxymethanimine;hydrochloride
CID 45074582
ethyl 2-iminoethaneperoxoate
CID 174251053
ethoxyethane;oxophosphane
CID 18547249
ethoxyethane;formaldehyde
CID 174286087
ethyl (114C)methanimidate
CID 12578843
propane;ruthenium
CID 161061794
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
disodium bis(diethyl phosphate)
CID 57370561

Frequently Asked Questions

What is the IUPAC name of 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane?
The IUPAC name of 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane (CID 175872075) is 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane.
What is the SMILES notation for 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane?
The canonical SMILES for 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane is [2H]P(=O)(CC)OCC.
What is the InChIKey of 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane?
The InChIKey is RKXDVGYSGPCUTF-WHRKIXHSSA-N. The full InChI is InChI=1S/C4H11O2P/c1-3-6-7(5)4-2/h7H,3-4H2,1-2H3/i7D.
What are the key properties of 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane?
1-[deuterio(ethyl)(2H)phosphoryl]oxyethane has a molecular weight of 123.11 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[deuterio(ethyl)(2H)phosphoryl]oxyethane is sourced from PubChem (CID 175872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).