2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde

C10H18O3 — CID 16726893

IUPAC2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde
SMILESCCC1(CC=O)OCC(C)(C)CO1
InChIInChI=1S/C10H18O3/c1-4-10(5-6-11)12-7-9(2,3)8-13-10/h6H,4-5,7-8H2,1-3H3
InChIKeyFIOYZLMAUGGADS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde

2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde (PubChem CID 16726893) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde
PubChem CID16726893
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde
SMILESCCC1(CC=O)OCC(C)(C)CO1
InChIInChI=1S/C10H18O3/c1-4-10(5-6-11)12-7-9(2,3)8-13-10/h6H,4-5,7-8H2,1-3H3
InChIKeyFIOYZLMAUGGADS-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
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-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde (CID 16726893) is 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde is CCC1(CC=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde?
The InChIKey is FIOYZLMAUGGADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(5-6-11)12-7-9(2,3)8-13-10/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde?
2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)acetaldehyde is sourced from PubChem (CID 16726893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).