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

C14H26O3 — CID 6365747

IUPAC(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(COC/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
InChIKeyNPBSCTNZMOBINO-UKTHLTGXSA-N
MW242.36 g/mol
LogP3.31
Rot. Bonds9

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

(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene (PubChem CID 6365747) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
PubChem CID6365747
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(COC/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+
InChIKeyNPBSCTNZMOBINO-UKTHLTGXSA-N
XLogP3.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene (CID 6365747) is (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene is COC(COC/C=C(\C)CCC=C(C)C)OC.
What is the InChIKey of (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene?
The InChIKey is NPBSCTNZMOBINO-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3/b13-9+.
What are the key properties of (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene?
(2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene has a molecular weight of 242.36 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 6365747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).