2-methoxy-3,7-dimethyloct-6-enal

C11H20O2 — CID 23502649

IUPAC2-methoxy-3,7-dimethyloct-6-enal
SMILESCOC(C=O)C(C)CCC=C(C)C
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)11(8-12)13-4/h6,8,10-11H,5,7H2,1-4H3
InChIKeyCEYIYCUYBNZLAK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-3,7-dimethyloct-6-enal

2-methoxy-3,7-dimethyloct-6-enal (PubChem CID 23502649) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxy-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name2-methoxy-3,7-dimethyloct-6-enal
PubChem CID23502649
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxy-3,7-dimethyloct-6-enal
SMILESCOC(C=O)C(C)CCC=C(C)C
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)11(8-12)13-4/h6,8,10-11H,5,7H2,1-4H3
InChIKeyCEYIYCUYBNZLAK-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methoxy-3,7-dimethyloct-6-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,7-dimethyloct-6-enal?
The IUPAC name of 2-methoxy-3,7-dimethyloct-6-enal (CID 23502649) is 2-methoxy-3,7-dimethyloct-6-enal.
What is the SMILES notation for 2-methoxy-3,7-dimethyloct-6-enal?
The canonical SMILES for 2-methoxy-3,7-dimethyloct-6-enal is COC(C=O)C(C)CCC=C(C)C.
What is the InChIKey of 2-methoxy-3,7-dimethyloct-6-enal?
The InChIKey is CEYIYCUYBNZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)11(8-12)13-4/h6,8,10-11H,5,7H2,1-4H3.
What are the key properties of 2-methoxy-3,7-dimethyloct-6-enal?
2-methoxy-3,7-dimethyloct-6-enal has a molecular weight of 184.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,7-dimethyloct-6-enal is sourced from PubChem (CID 23502649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).