2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde

C11H20O2 — CID 167717438

IUPAC2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde
SMILESCC1(C)CC(CC=O)CC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h6,9H,5,7-8H2,1-4H3
InChIKeyQSCZTVSUKGKEQB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds2

About 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde

2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde (PubChem CID 167717438) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde
PubChem CID167717438
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde
SMILESCC1(C)CC(CC=O)CC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h6,9H,5,7-8H2,1-4H3
InChIKeyQSCZTVSUKGKEQB-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde (CID 167717438) is 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde is CC1(C)CC(CC=O)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde?
The InChIKey is QSCZTVSUKGKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde?
2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyloxan-4-yl)acetaldehyde is sourced from PubChem (CID 167717438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).