3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene

C16H26O — CID 91222189

IUPAC3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene
SMILESC=CC(=CC(C)(C)C)OC(C=C)=CC(C)(C)C
InChIInChI=1S/C16H26O/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeySCWZILVWVUUEFA-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.24
Rot. Bonds4

About 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene

3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene (PubChem CID 91222189) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene.

Molecular Properties

Compound Name3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene
PubChem CID91222189
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene
SMILESC=CC(=CC(C)(C)C)OC(C=C)=CC(C)(C)C
InChIInChI=1S/C16H26O/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeySCWZILVWVUUEFA-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene?
The IUPAC name of 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene (CID 91222189) is 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene.
What is the SMILES notation for 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene?
The canonical SMILES for 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene is C=CC(=CC(C)(C)C)OC(C=C)=CC(C)(C)C.
What is the InChIKey of 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene?
The InChIKey is SCWZILVWVUUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9-12H,1-2H2,3-8H3.
What are the key properties of 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene?
3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene has a molecular weight of 234.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene is sourced from PubChem (CID 91222189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).