1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane

C5H13O3P — CID 11062590

IUPAC1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
SMILESCCOP([14CH3])(=O)OCC
InChIInChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3/i3+2
InChIKeyNYYLZXREFNYPKB-YZRHJBSPSA-N
MW154.12 g/mol
LogP1.88
Rot. Bonds4

About 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane

1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane (PubChem CID 11062590) has the molecular formula C5H13O3P and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
PubChem CID11062590
Molecular FormulaC5H13O3P
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
SMILESCCOP([14CH3])(=O)OCC
InChIInChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3/i3+2
InChIKeyNYYLZXREFNYPKB-YZRHJBSPSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.88
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

1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
CID 131882906
CID 131882906
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494
diethyl hydrogen phosphate;scandium
CID 54607585
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
disodium bis(diethyl phosphate)
CID 57370561
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane (CID 11062590) is 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane is CCOP([14CH3])(=O)OCC.
What is the InChIKey of 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane?
The InChIKey is NYYLZXREFNYPKB-YZRHJBSPSA-N. The full InChI is InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3/i3+2.
What are the key properties of 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane?
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane has a molecular weight of 154.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane is sourced from PubChem (CID 11062590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).