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

C14H26O2 — CID 5365794

IUPAC(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
SMILESCCOC(/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
InChIKeyNTXGFKWLJFHGGJ-ACCUITESSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds8

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

(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene (PubChem CID 5365794) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
PubChem CID5365794
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
SMILESCCOC(/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
InChIKeyNTXGFKWLJFHGGJ-ACCUITESSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1,1-diethoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene (CID 5365794) is (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene is CCOC(/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is NTXGFKWLJFHGGJ-ACCUITESSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+.
What are the key properties of (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene?
(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 5365794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).