2,2,6,6-tetramethyloxane-4-carbaldehyde

C10H18O2 — CID 58424487

IUPAC2,2,6,6-tetramethyloxane-4-carbaldehyde
SMILESCC1(C)CC(C=O)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyPOPIGHUDRUZIMG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds1

About 2,2,6,6-tetramethyloxane-4-carbaldehyde

2,2,6,6-tetramethyloxane-4-carbaldehyde (PubChem CID 58424487) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,2,6,6-tetramethyloxane-4-carbaldehyde.

Molecular Properties

Compound Name2,2,6,6-tetramethyloxane-4-carbaldehyde
PubChem CID58424487
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,2,6,6-tetramethyloxane-4-carbaldehyde
SMILESCC1(C)CC(C=O)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyPOPIGHUDRUZIMG-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
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 2,2,6,6-tetramethyloxane-4-carbaldehyde?
The IUPAC name of 2,2,6,6-tetramethyloxane-4-carbaldehyde (CID 58424487) is 2,2,6,6-tetramethyloxane-4-carbaldehyde.
What is the SMILES notation for 2,2,6,6-tetramethyloxane-4-carbaldehyde?
The canonical SMILES for 2,2,6,6-tetramethyloxane-4-carbaldehyde is CC1(C)CC(C=O)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyloxane-4-carbaldehyde?
The InChIKey is POPIGHUDRUZIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyloxane-4-carbaldehyde?
2,2,6,6-tetramethyloxane-4-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyloxane-4-carbaldehyde is sourced from PubChem (CID 58424487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).