2-(2,6,6-trimethyloxan-2-yl)acetaldehyde

C10H18O2 — CID 88884784

IUPAC2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
SMILESCC1(C)CCCC(C)(CC=O)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h8H,4-7H2,1-3H3
InChIKeyGWGXFKYWWHSCQF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde

2-(2,6,6-trimethyloxan-2-yl)acetaldehyde (PubChem CID 88884784) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
PubChem CID88884784
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
SMILESCC1(C)CCCC(C)(CC=O)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h8H,4-7H2,1-3H3
InChIKeyGWGXFKYWWHSCQF-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.31
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-trimethyloxan-2-yl)acetaldehyde?
The IUPAC name of 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde (CID 88884784) is 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde is CC1(C)CCCC(C)(CC=O)O1.
What is the InChIKey of 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde?
The InChIKey is GWGXFKYWWHSCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde?
2-(2,6,6-trimethyloxan-2-yl)acetaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,6-trimethyloxan-2-yl)acetaldehyde is sourced from PubChem (CID 88884784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).