4,6-dimethyloxane-2-carbaldehyde

C8H14O2 — CID 72570887

IUPAC4,6-dimethyloxane-2-carbaldehyde
SMILESCC1CC(C)OC(C=O)C1
InChIInChI=1S/C8H14O2/c1-6-3-7(2)10-8(4-6)5-9/h5-8H,3-4H2,1-2H3
InChIKeyVUZVATABMHSMSO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About 4,6-dimethyloxane-2-carbaldehyde

4,6-dimethyloxane-2-carbaldehyde (PubChem CID 72570887) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,6-dimethyloxane-2-carbaldehyde.

Molecular Properties

Compound Name4,6-dimethyloxane-2-carbaldehyde
PubChem CID72570887
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,6-dimethyloxane-2-carbaldehyde
SMILESCC1CC(C)OC(C=O)C1
InChIInChI=1S/C8H14O2/c1-6-3-7(2)10-8(4-6)5-9/h5-8H,3-4H2,1-2H3
InChIKeyVUZVATABMHSMSO-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
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 4,6-dimethyloxane-2-carbaldehyde?
The IUPAC name of 4,6-dimethyloxane-2-carbaldehyde (CID 72570887) is 4,6-dimethyloxane-2-carbaldehyde.
What is the SMILES notation for 4,6-dimethyloxane-2-carbaldehyde?
The canonical SMILES for 4,6-dimethyloxane-2-carbaldehyde is CC1CC(C)OC(C=O)C1.
What is the InChIKey of 4,6-dimethyloxane-2-carbaldehyde?
The InChIKey is VUZVATABMHSMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-3-7(2)10-8(4-6)5-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethyloxane-2-carbaldehyde?
4,6-dimethyloxane-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyloxane-2-carbaldehyde is sourced from PubChem (CID 72570887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).