4-ethenoxy-2,6-dimethylhepta-1,6-diene

C11H18O — CID 102182047

IUPAC4-ethenoxy-2,6-dimethylhepta-1,6-diene
SMILESC=COC(CC(=C)C)CC(=C)C
InChIInChI=1S/C11H18O/c1-6-12-11(7-9(2)3)8-10(4)5/h6,11H,1-2,4,7-8H2,3,5H3
InChIKeySWNXRDNDXMGIMA-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds6

About 4-ethenoxy-2,6-dimethylhepta-1,6-diene

4-ethenoxy-2,6-dimethylhepta-1,6-diene (PubChem CID 102182047) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-ethenoxy-2,6-dimethylhepta-1,6-diene.

Molecular Properties

Compound Name4-ethenoxy-2,6-dimethylhepta-1,6-diene
PubChem CID102182047
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-ethenoxy-2,6-dimethylhepta-1,6-diene
SMILESC=COC(CC(=C)C)CC(=C)C
InChIInChI=1S/C11H18O/c1-6-12-11(7-9(2)3)8-10(4)5/h6,11H,1-2,4,7-8H2,3,5H3
InChIKeySWNXRDNDXMGIMA-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-2,6-dimethylhepta-1,6-diene?
The IUPAC name of 4-ethenoxy-2,6-dimethylhepta-1,6-diene (CID 102182047) is 4-ethenoxy-2,6-dimethylhepta-1,6-diene.
What is the SMILES notation for 4-ethenoxy-2,6-dimethylhepta-1,6-diene?
The canonical SMILES for 4-ethenoxy-2,6-dimethylhepta-1,6-diene is C=COC(CC(=C)C)CC(=C)C.
What is the InChIKey of 4-ethenoxy-2,6-dimethylhepta-1,6-diene?
The InChIKey is SWNXRDNDXMGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-12-11(7-9(2)3)8-10(4)5/h6,11H,1-2,4,7-8H2,3,5H3.
What are the key properties of 4-ethenoxy-2,6-dimethylhepta-1,6-diene?
4-ethenoxy-2,6-dimethylhepta-1,6-diene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2,6-dimethylhepta-1,6-diene is sourced from PubChem (CID 102182047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).