(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde

C9H14O3 — CID 15632545

IUPAC(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)C=O
InChIInChI=1S/C9H14O3/c1-5-7-9(4,6-10)12-8(2,3)11-7/h5-7H,1H2,2-4H3/t7-,9+/m1/s1
InChIKeyMSTORQMIQGDEDQ-APPZFPTMSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 15632545) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID15632545
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)C=O
InChIInChI=1S/C9H14O3/c1-5-7-9(4,6-10)12-8(2,3)11-7/h5-7H,1H2,2-4H3/t7-,9+/m1/s1
InChIKeyMSTORQMIQGDEDQ-APPZFPTMSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 54577276
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962
3-ethenyloxirane-2,2-diol
CID 54240992
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloxirane-2-carbaldehyde
CID 130035501
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468
4,4-dimethyl-1,3-dioxetane-2-carbaldehyde
CID 23218533
(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 126712187
(3aR,5R,6aS)-2,2,3a-trimethyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]dioxole 5-oxide
CID 71625240
(3aR,6S,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxole-3a-carbaldehyde
CID 102385498
(2S,5S)-5-ethenyl-2-methyl-2-[(2R,5S)-5-methyl-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxolane
CID 11961349

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde (CID 15632545) is (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde is C=C[C@H]1OC(C)(C)O[C@@]1(C)C=O.
What is the InChIKey of (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is MSTORQMIQGDEDQ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-7-9(4,6-10)12-8(2,3)11-7/h5-7H,1H2,2-4H3/t7-,9+/m1/s1.
What are the key properties of (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 15632545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).