(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene

C5H10O3 — CID 59115825

IUPAC(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene
SMILES[3H]O/C(=C/OCC)OC
InChIInChI=1S/C5H10O3/c1-3-8-4-5(6)7-2/h4,6H,3H2,1-2H3/b5-4-/i/hT
InChIKeyUQEJDSRBCFWECB-KKTIOPDTSA-N
MW120.14 g/mol
LogP1.03
Rot. Bonds4

About (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene

(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene (PubChem CID 59115825) has the molecular formula C5H10O3 and a molecular weight of 120.14 g/mol. Its IUPAC name is (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene.

Molecular Properties

Compound Name(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene
PubChem CID59115825
Molecular FormulaC5H10O3
Molecular Weight120.14 g/mol
Exact Mass120.07
IUPAC Name(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene
SMILES[3H]O/C(=C/OCC)OC
InChIInChI=1S/C5H10O3/c1-3-8-4-5(6)7-2/h4,6H,3H2,1-2H3/b5-4-/i/hT
InChIKeyUQEJDSRBCFWECB-KKTIOPDTSA-N
XLogP1.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene?
The IUPAC name of (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene (CID 59115825) is (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene.
What is the SMILES notation for (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene?
The canonical SMILES for (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene is [3H]O/C(=C/OCC)OC.
What is the InChIKey of (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene?
The InChIKey is UQEJDSRBCFWECB-KKTIOPDTSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-8-4-5(6)7-2/h4,6H,3H2,1-2H3/b5-4-/i/hT.
What are the key properties of (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene?
(Z)-2-ethoxy-1-methoxy-1-tritiooxyethene has a molecular weight of 120.14 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-1-methoxy-1-tritiooxyethene is sourced from PubChem (CID 59115825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).