2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane

C13H22O2 — CID 24881903

IUPAC2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane
SMILESCC(C)=CCCC(C)/C=C/C1OCCO1
InChIInChI=1S/C13H22O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b8-7+
InChIKeyJNUNBVGVRMZQEZ-BQYQJAHWSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds5

About 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane

2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane (PubChem CID 24881903) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane
PubChem CID24881903
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane
SMILESCC(C)=CCCC(C)/C=C/C1OCCO1
InChIInChI=1S/C13H22O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b8-7+
InChIKeyJNUNBVGVRMZQEZ-BQYQJAHWSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

Geranial propylene glycol acetal
CID 5338463
Citracetal
CID 1615097
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
2,6-Octadiene, 1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)-
CID 6365747
2,4-Dimethyl-7-ethyl-6,8-dioxabicyclo-[3.2.1]-3-octene
CID 13429331
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
CID 5356479
(2Z)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
CID 145796223
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
(4Z)-3-ethenyl-4-[2-(methoxymethoxy)ethylidene]oxolane
CID 11252389
2-[(E)-hept-1-enyl]-1,3-dioxolane
CID 15643672

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane?
The IUPAC name of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane (CID 24881903) is 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane is CC(C)=CCCC(C)/C=C/C1OCCO1.
What is the InChIKey of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane?
The InChIKey is JNUNBVGVRMZQEZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b8-7+.
What are the key properties of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane?
2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane is sourced from PubChem (CID 24881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).