(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol

C11H20O2 — CID 21079519

IUPAC(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol
SMILESCOC(C)(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,7-8,12H,6,9H2,1-4H3/b8-5+,10-7+
InChIKeyVKYWFWUWJBGWCH-FQOLVZPASA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds5

About (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol

(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol (PubChem CID 21079519) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol
PubChem CID21079519
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol
SMILESCOC(C)(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,7-8,12H,6,9H2,1-4H3/b8-5+,10-7+
InChIKeyVKYWFWUWJBGWCH-FQOLVZPASA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-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 (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol (CID 21079519) is (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol is COC(C)(C)/C=C/C/C(C)=C/CO.
What is the InChIKey of (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol?
The InChIKey is VKYWFWUWJBGWCH-FQOLVZPASA-N. The full InChI is InChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,7-8,12H,6,9H2,1-4H3/b8-5+,10-7+.
What are the key properties of (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol?
(2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-7-methoxy-3,7-dimethylocta-2,5-dien-1-ol is sourced from PubChem (CID 21079519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).