1,8-dimethoxyocta-1,3,5,7-tetraene

C10H14O2 — CID 163444931

IUPAC1,8-dimethoxyocta-1,3,5,7-tetraene
SMILESCOC=CC=CC=CC=COC
InChIInChI=1S/C10H14O2/c1-11-9-7-5-3-4-6-8-10-12-2/h3-10H,1-2H3
InChIKeyBBSFCTXWQKLRON-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.42
Rot. Bonds5

About 1,8-dimethoxyocta-1,3,5,7-tetraene

1,8-dimethoxyocta-1,3,5,7-tetraene (PubChem CID 163444931) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,8-dimethoxyocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name1,8-dimethoxyocta-1,3,5,7-tetraene
PubChem CID163444931
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,8-dimethoxyocta-1,3,5,7-tetraene
SMILESCOC=CC=CC=CC=COC
InChIInChI=1S/C10H14O2/c1-11-9-7-5-3-4-6-8-10-12-2/h3-10H,1-2H3
InChIKeyBBSFCTXWQKLRON-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,8-dimethoxyocta-1,3,5,7-tetraene 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 1,8-dimethoxyocta-1,3,5,7-tetraene?
The IUPAC name of 1,8-dimethoxyocta-1,3,5,7-tetraene (CID 163444931) is 1,8-dimethoxyocta-1,3,5,7-tetraene.
What is the SMILES notation for 1,8-dimethoxyocta-1,3,5,7-tetraene?
The canonical SMILES for 1,8-dimethoxyocta-1,3,5,7-tetraene is COC=CC=CC=CC=COC.
What is the InChIKey of 1,8-dimethoxyocta-1,3,5,7-tetraene?
The InChIKey is BBSFCTXWQKLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-11-9-7-5-3-4-6-8-10-12-2/h3-10H,1-2H3.
What are the key properties of 1,8-dimethoxyocta-1,3,5,7-tetraene?
1,8-dimethoxyocta-1,3,5,7-tetraene has a molecular weight of 166.22 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxyocta-1,3,5,7-tetraene is sourced from PubChem (CID 163444931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).