(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene

C13H24O3 — CID 19366662

IUPAC(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(OC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H24O3/c1-11(2)7-6-8-12(3)9-10-16-13(14-4)15-5/h7,9,13H,6,8,10H2,1-5H3/b12-9+
InChIKeyCIQSGWQFIYDCCL-FMIVXFBMSA-N
MW228.33 g/mol
LogP3.27
Rot. Bonds8

About (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene

(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene (PubChem CID 19366662) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene
PubChem CID19366662
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(OC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H24O3/c1-11(2)7-6-8-12(3)9-10-16-13(14-4)15-5/h7,9,13H,6,8,10H2,1-5H3/b12-9+
InChIKeyCIQSGWQFIYDCCL-FMIVXFBMSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.27
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 (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene (CID 19366662) is (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene is COC(OC)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene?
The InChIKey is CIQSGWQFIYDCCL-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(2)7-6-8-12(3)9-10-16-13(14-4)15-5/h7,9,13H,6,8,10H2,1-5H3/b12-9+.
What are the key properties of (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene?
(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene has a molecular weight of 228.33 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 19366662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).