3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene

C14H26O3 — CID 135039571

IUPAC3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(CCC=C(C)C)OC(C)(OC)OC
InChIInChI=1S/C14H26O3/c1-8-13(4,11-9-10-12(2)3)17-14(5,15-6)16-7/h8,10H,1,9,11H2,2-7H3
InChIKeyVOQBAKUFQUHOTQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.66
Rot. Bonds8

About 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene

3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene (PubChem CID 135039571) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene
PubChem CID135039571
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(CCC=C(C)C)OC(C)(OC)OC
InChIInChI=1S/C14H26O3/c1-8-13(4,11-9-10-12(2)3)17-14(5,15-6)16-7/h8,10H,1,9,11H2,2-7H3
InChIKeyVOQBAKUFQUHOTQ-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene?
The IUPAC name of 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene (CID 135039571) is 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene is C=CC(C)(CCC=C(C)C)OC(C)(OC)OC.
What is the InChIKey of 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene?
The InChIKey is VOQBAKUFQUHOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-8-13(4,11-9-10-12(2)3)17-14(5,15-6)16-7/h8,10H,1,9,11H2,2-7H3.
What are the key properties of 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene?
3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene has a molecular weight of 242.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethoxyethoxy)-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 135039571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).