(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene

C14H24O4 — CID 10753573

IUPAC(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene
SMILESCOC(OC)/C(C)=C/C=C/C=C(\C)C(OC)OC
InChIInChI=1S/C14H24O4/c1-11(13(15-3)16-4)9-7-8-10-12(2)14(17-5)18-6/h7-10,13-14H,1-6H3/b8-7+,11-9+,12-10+
InChIKeyGFOWBWVJCFFKIU-BGSVYHRFSA-N
MW256.34 g/mol
LogP2.67
Rot. Bonds8

About (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene

(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene (PubChem CID 10753573) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene
PubChem CID10753573
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene
SMILESCOC(OC)/C(C)=C/C=C/C=C(\C)C(OC)OC
InChIInChI=1S/C14H24O4/c1-11(13(15-3)16-4)9-7-8-10-12(2)14(17-5)18-6/h7-10,13-14H,1-6H3/b8-7+,11-9+,12-10+
InChIKeyGFOWBWVJCFFKIU-BGSVYHRFSA-N
XLogP2.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene (CID 10753573) is (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene is COC(OC)/C(C)=C/C=C/C=C(\C)C(OC)OC.
What is the InChIKey of (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene?
The InChIKey is GFOWBWVJCFFKIU-BGSVYHRFSA-N. The full InChI is InChI=1S/C14H24O4/c1-11(13(15-3)16-4)9-7-8-10-12(2)14(17-5)18-6/h7-10,13-14H,1-6H3/b8-7+,11-9+,12-10+.
What are the key properties of (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene?
(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene has a molecular weight of 256.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene is sourced from PubChem (CID 10753573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).