6-methoxy-2,6-dimethyloctanal

C11H22O2 — CID 24755581

IUPAC6-methoxy-2,6-dimethyloctanal
SMILESCCC(C)(CCCC(C)C=O)OC
InChIInChI=1S/C11H22O2/c1-5-11(3,13-4)8-6-7-10(2)9-12/h9-10H,5-8H2,1-4H3
InChIKeyXMLIBBMPASIZBW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds7

About 6-methoxy-2,6-dimethyloctanal

6-methoxy-2,6-dimethyloctanal (PubChem CID 24755581) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethyloctanal.

Molecular Properties

Compound Name6-methoxy-2,6-dimethyloctanal
PubChem CID24755581
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-methoxy-2,6-dimethyloctanal
SMILESCCC(C)(CCCC(C)C=O)OC
InChIInChI=1S/C11H22O2/c1-5-11(3,13-4)8-6-7-10(2)9-12/h9-10H,5-8H2,1-4H3
InChIKeyXMLIBBMPASIZBW-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
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 6-methoxy-2,6-dimethyloctanal?
The IUPAC name of 6-methoxy-2,6-dimethyloctanal (CID 24755581) is 6-methoxy-2,6-dimethyloctanal.
What is the SMILES notation for 6-methoxy-2,6-dimethyloctanal?
The canonical SMILES for 6-methoxy-2,6-dimethyloctanal is CCC(C)(CCCC(C)C=O)OC.
What is the InChIKey of 6-methoxy-2,6-dimethyloctanal?
The InChIKey is XMLIBBMPASIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-11(3,13-4)8-6-7-10(2)9-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-methoxy-2,6-dimethyloctanal?
6-methoxy-2,6-dimethyloctanal has a molecular weight of 186.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethyloctanal is sourced from PubChem (CID 24755581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).