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

C14H26O2 — CID 10082427

IUPAC(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H26O2/c1-12(2)8-7-9-13(3)10-11-16-14(4,5)15-6/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeyUWYFUZLLWUEJOQ-JLHYYAGUSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds7

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

(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene (PubChem CID 10082427) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
PubChem CID10082427
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
SMILESCOC(C)(C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H26O2/c1-12(2)8-7-9-13(3)10-11-16-14(4,5)15-6/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeyUWYFUZLLWUEJOQ-JLHYYAGUSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane
CID 3017007
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene (CID 10082427) is (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene is COC(C)(C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene?
The InChIKey is UWYFUZLLWUEJOQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)8-7-9-13(3)10-11-16-14(4,5)15-6/h8,10H,7,9,11H2,1-6H3/b13-10+.
What are the key properties of (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene?
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 10082427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).