10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene

C15H26O2 — CID 54174083

IUPAC10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene
SMILESCOC(C)(C=CC=C(C)CCC=C(C)C)OC
InChIInChI=1S/C15H26O2/c1-13(2)9-7-10-14(3)11-8-12-15(4,16-5)17-6/h8-9,11-12H,7,10H2,1-6H3
InChIKeyOXAKRYLGXMEFHA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds7

About 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene

10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene (PubChem CID 54174083) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene.

Molecular Properties

Compound Name10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene
PubChem CID54174083
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene
SMILESCOC(C)(C=CC=C(C)CCC=C(C)C)OC
InChIInChI=1S/C15H26O2/c1-13(2)9-7-10-14(3)11-8-12-15(4,16-5)17-6/h8-9,11-12H,7,10H2,1-6H3
InChIKeyOXAKRYLGXMEFHA-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene?
The IUPAC name of 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene (CID 54174083) is 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene.
What is the SMILES notation for 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene?
The canonical SMILES for 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene is COC(C)(C=CC=C(C)CCC=C(C)C)OC.
What is the InChIKey of 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene?
The InChIKey is OXAKRYLGXMEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)9-7-10-14(3)11-8-12-15(4,16-5)17-6/h8-9,11-12H,7,10H2,1-6H3.
What are the key properties of 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene?
10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene has a molecular weight of 238.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxy-2,6-dimethylundeca-2,6,8-triene is sourced from PubChem (CID 54174083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).