(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene

C12H22O — CID 6436546

IUPAC(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene
SMILESCCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
InChIKeyLOUIMJFJROISMD-XFXZXTDPSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds6

About (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene

(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene (PubChem CID 6436546) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene
PubChem CID6436546
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene
SMILESCCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
InChIKeyLOUIMJFJROISMD-XFXZXTDPSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene (CID 6436546) is (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene is CCOC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is LOUIMJFJROISMD-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-.
What are the key properties of (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene?
(2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-ethoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 6436546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).