(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde

C7H12O3 — CID 11789327

IUPAC(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@@](C)(C=O)O1
InChIInChI=1S/C7H12O3/c1-6(2)9-5-7(3,4-8)10-6/h4H,5H2,1-3H3/t7-/m1/s1
InChIKeyWFKJHDYMTVWZOY-SSDOTTSWSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds1

About (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde

(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 11789327) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID11789327
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@@](C)(C=O)O1
InChIInChI=1S/C7H12O3/c1-6(2)9-5-7(3,4-8)10-6/h4H,5H2,1-3H3/t7-/m1/s1
InChIKeyWFKJHDYMTVWZOY-SSDOTTSWSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-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)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
CID 11105390
(R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 259712
2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
CID 110702
2,3-o-(3-Pentylidene)-D-glyceraldehyde
CID 11789478
1,3-Dioxolane-4-carboxaldehyde, 2,2,4-trimethyl-
CID 13093484
4,4-Dimethyl-1,3-dioxolane-2-carbaldehyde
CID 13529088
2,2-Dimethyl-1,3-dioxolane-4,5-dicarbaldehyde
CID 14314802
2,5,5-Trifluoro-2,4-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 88489192
2,2,5,5-Tetramethyl-1,3-dioxolane-4-carbaldehyde
CID 13227509
(R)-2,2,5,5-Tetramethyl-1,3-dioxolane-4-carbaldehyde
CID 13227510
2-Methyl-1,3-dioxolane-4-carbaldehyde
CID 15918976
2-Tert-butyl-4-methyl-1,3-dioxolane-4-carbaldehyde
CID 10899140

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde (CID 11789327) is (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)OC[C@@](C)(C=O)O1.
What is the InChIKey of (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is WFKJHDYMTVWZOY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(2)9-5-7(3,4-8)10-6/h4H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde?
(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 11789327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).