2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde

C10H18O3 — CID 89338555

IUPAC2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1OC(CC)(CC)OC1C=O
InChIInChI=1S/C10H18O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h7-9H,4-6H2,1-3H3
InChIKeyQEGKWEWLHCKDBC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds4

About 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde

2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 89338555) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID89338555
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC1OC(CC)(CC)OC1C=O
InChIInChI=1S/C10H18O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h7-9H,4-6H2,1-3H3
InChIKeyQEGKWEWLHCKDBC-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
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 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde (CID 89338555) is 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde is CCC1OC(CC)(CC)OC1C=O.
What is the InChIKey of 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is QEGKWEWLHCKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde?
2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 89338555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).