2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde

C7H10O4 — CID 14314802

IUPAC2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde
SMILESCC1(C)OC(C=O)C(C=O)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(3-8)6(4-9)11-7/h3-6H,1-2H3
InChIKeyHZJHBGXHOJVFGH-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.10
Rot. Bonds2

About 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde

2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde (PubChem CID 14314802) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde
PubChem CID14314802
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde
SMILESCC1(C)OC(C=O)C(C=O)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(3-8)6(4-9)11-7/h3-6H,1-2H3
InChIKeyHZJHBGXHOJVFGH-UHFFFAOYSA-N
XLogP-0.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde 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-(2-Methyl-1,3-dioxolan-2-yl)acetaldehyde
CID 11007926
methyl (4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11194788
2,3-o-(3-Pentylidene)-D-glyceraldehyde
CID 11789478
1,3-Dioxolane-4-carboxaldehyde, 2,2,4-trimethyl-
CID 13093484
(R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde
CID 24864236
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
(4S)-2,2-Diethyl-1,3-dioxolane-4-carbaldehyde
CID 11116318

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde?
The IUPAC name of 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde (CID 14314802) is 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde is CC1(C)OC(C=O)C(C=O)O1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde?
The InChIKey is HZJHBGXHOJVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(2)10-5(3-8)6(4-9)11-7/h3-6H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde?
2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde has a molecular weight of 158.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxolane-4,5-dicarbaldehyde is sourced from PubChem (CID 14314802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).