2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde

C7H10O4 — CID 22627801

IUPAC2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde
SMILESCC1(C)OC(=O)C(CC=O)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(3-4-8)6(9)11-7/h4-5H,3H2,1-2H3
InChIKeyAXZMBXXTNXSOCI-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.25
Rot. Bonds2

About 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde (PubChem CID 22627801) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde
PubChem CID22627801
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde
SMILESCC1(C)OC(=O)C(CC=O)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(3-4-8)6(9)11-7/h4-5H,3H2,1-2H3
InChIKeyAXZMBXXTNXSOCI-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde (CID 22627801) is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde is CC1(C)OC(=O)C(CC=O)O1.
What is the InChIKey of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde?
The InChIKey is AXZMBXXTNXSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(2)10-5(3-4-8)6(9)11-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde?
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde has a molecular weight of 158.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetaldehyde is sourced from PubChem (CID 22627801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).