5-methoxy-3,7-dimethyloct-2-en-1-ol

C11H22O2 — CID 90708771

IUPAC5-methoxy-3,7-dimethyloct-2-en-1-ol
SMILESCOC(CC(C)=CCO)CC(C)C
InChIInChI=1S/C11H22O2/c1-9(2)7-11(13-4)8-10(3)5-6-12/h5,9,11-12H,6-8H2,1-4H3
InChIKeyXNLGUXWWQSKVTH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds6

About 5-methoxy-3,7-dimethyloct-2-en-1-ol

5-methoxy-3,7-dimethyloct-2-en-1-ol (PubChem CID 90708771) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-methoxy-3,7-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name5-methoxy-3,7-dimethyloct-2-en-1-ol
PubChem CID90708771
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-methoxy-3,7-dimethyloct-2-en-1-ol
SMILESCOC(CC(C)=CCO)CC(C)C
InChIInChI=1S/C11H22O2/c1-9(2)7-11(13-4)8-10(3)5-6-12/h5,9,11-12H,6-8H2,1-4H3
InChIKeyXNLGUXWWQSKVTH-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-3,7-dimethyloct-2-en-1-ol 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 5-methoxy-3,7-dimethyloct-2-en-1-ol?
The IUPAC name of 5-methoxy-3,7-dimethyloct-2-en-1-ol (CID 90708771) is 5-methoxy-3,7-dimethyloct-2-en-1-ol.
What is the SMILES notation for 5-methoxy-3,7-dimethyloct-2-en-1-ol?
The canonical SMILES for 5-methoxy-3,7-dimethyloct-2-en-1-ol is COC(CC(C)=CCO)CC(C)C.
What is the InChIKey of 5-methoxy-3,7-dimethyloct-2-en-1-ol?
The InChIKey is XNLGUXWWQSKVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)7-11(13-4)8-10(3)5-6-12/h5,9,11-12H,6-8H2,1-4H3.
What are the key properties of 5-methoxy-3,7-dimethyloct-2-en-1-ol?
5-methoxy-3,7-dimethyloct-2-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,7-dimethyloct-2-en-1-ol is sourced from PubChem (CID 90708771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).