2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde

C5H8O3 — CID 173256593

IUPAC2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
SMILES[3H]C1(C=O)COC(C)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4-5H,3H2,1H3/i5T
InChIKeyMGJRCILWZGKOON-XHHURNKPSA-N
MW118.12 g/mol
LogP-0.05
Rot. Bonds1

About 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde

2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde (PubChem CID 173256593) has the molecular formula C5H8O3 and a molecular weight of 118.12 g/mol. Its IUPAC name is 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
PubChem CID173256593
Molecular FormulaC5H8O3
Molecular Weight118.12 g/mol
Exact Mass118.06
IUPAC Name2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
SMILES[3H]C1(C=O)COC(C)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4-5H,3H2,1H3/i5T
InChIKeyMGJRCILWZGKOON-XHHURNKPSA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1,3-dioxolan-4-yl) formate
CID 175326174
2,4-dimethyl-1,3-dioxolane;methane
CID 162253939
4-fluoro-2-methyl-1,3-dioxolane
CID 137456725
(4R,5R)-5-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-1,3-dioxane-4-carbaldehyde
CID 101157962
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427
N-hydroxy-N-methyl-2-(2-methyl-1,3-dioxolan-4-yl)acetamide
CID 21306104
methyl 2-methyl-1,3-dioxolane-4-carboxylate
CID 18964615
2-methyloxirane;prop-2-enal
CID 159099687
(E)-4-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)but-3-en-2-one
CID 130142214
oxirane-2-carbaldehyde;silane
CID 173157957
(4aS,7S,8aS)-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59079572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde (CID 173256593) is 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde is [3H]C1(C=O)COC(C)O1.
What is the InChIKey of 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde?
The InChIKey is MGJRCILWZGKOON-XHHURNKPSA-N. The full InChI is InChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4-5H,3H2,1H3/i5T.
What are the key properties of 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde?
2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde has a molecular weight of 118.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 173256593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).