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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Related Compounds

CID 50941
CID 50941
CID 111452
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CID 86410
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CID 107057
CID 107057
CID 102507
CID 102507
CID 111013
CID 111013
CID 228644
CID 228644
CID 11970548
CID 11970548
CID 106157
CID 106157
CID 116735
CID 116735
CID 162492
CID 162492
CID 7009067
CID 7009067

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).