2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde

C6H10O3 — CID 11007926

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCC1(CC=O)OCCO1
InChIInChI=1S/C6H10O3/c1-6(2-3-7)8-4-5-9-6/h3H,2,4-5H2,1H3
InChIKeyRLBQTMYBGOKQBU-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds2

About 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde

2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde (PubChem CID 11007926) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde
PubChem CID11007926
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde
SMILESCC1(CC=O)OCCO1
InChIInChI=1S/C6H10O3/c1-6(2-3-7)8-4-5-9-6/h3H,2,4-5H2,1H3
InChIKeyRLBQTMYBGOKQBU-UHFFFAOYSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-1,3-dioxolan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde (CID 11007926) is 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde is CC1(CC=O)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde?
The InChIKey is RLBQTMYBGOKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2-3-7)8-4-5-9-6/h3H,2,4-5H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde?
2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde has a molecular weight of 130.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)acetaldehyde is sourced from PubChem (CID 11007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).