8,8-diethoxy-2,6-dimethyloct-2-ene

C14H28O2 — CID 3018210

IUPAC8,8-diethoxy-2,6-dimethyloct-2-ene
SMILESCCOC(CC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
InChIKeyHYNXWFKVWMABRM-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.16
Rot. Bonds9

About 8,8-diethoxy-2,6-dimethyloct-2-ene

8,8-diethoxy-2,6-dimethyloct-2-ene (PubChem CID 3018210) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 8,8-diethoxy-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name8,8-diethoxy-2,6-dimethyloct-2-ene
PubChem CID3018210
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name8,8-diethoxy-2,6-dimethyloct-2-ene
SMILESCCOC(CC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
InChIKeyHYNXWFKVWMABRM-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.16
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 8,8-diethoxy-2,6-dimethyloct-2-ene?
The IUPAC name of 8,8-diethoxy-2,6-dimethyloct-2-ene (CID 3018210) is 8,8-diethoxy-2,6-dimethyloct-2-ene.
What is the SMILES notation for 8,8-diethoxy-2,6-dimethyloct-2-ene?
The canonical SMILES for 8,8-diethoxy-2,6-dimethyloct-2-ene is CCOC(CC(C)CCC=C(C)C)OCC.
What is the InChIKey of 8,8-diethoxy-2,6-dimethyloct-2-ene?
The InChIKey is HYNXWFKVWMABRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3.
What are the key properties of 8,8-diethoxy-2,6-dimethyloct-2-ene?
8,8-diethoxy-2,6-dimethyloct-2-ene has a molecular weight of 228.38 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethoxy-2,6-dimethyloct-2-ene is sourced from PubChem (CID 3018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).