1,1-dimethoxy-3,7-dimethylocta-2,6-diene

C12H22O2 — CID 24191

IUPAC1,1-dimethoxy-3,7-dimethylocta-2,6-diene
SMILESCOC(C=C(C)CCC=C(C)C)OC
InChIInChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3
InChIKeyZSKAJFSSXURRGL-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds6

About 1,1-dimethoxy-3,7-dimethylocta-2,6-diene

1,1-dimethoxy-3,7-dimethylocta-2,6-diene (PubChem CID 24191) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,1-dimethoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1,1-dimethoxy-3,7-dimethylocta-2,6-diene
PubChem CID24191
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,1-dimethoxy-3,7-dimethylocta-2,6-diene
SMILESCOC(C=C(C)CCC=C(C)C)OC
InChIInChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3
InChIKeyZSKAJFSSXURRGL-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
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 1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1,1-dimethoxy-3,7-dimethylocta-2,6-diene (CID 24191) is 1,1-dimethoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1,1-dimethoxy-3,7-dimethylocta-2,6-diene is COC(C=C(C)CCC=C(C)C)OC.
What is the InChIKey of 1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is ZSKAJFSSXURRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3.
What are the key properties of 1,1-dimethoxy-3,7-dimethylocta-2,6-diene?
1,1-dimethoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 24191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).