1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene

C14H26O2 — CID 546162

IUPAC1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene
SMILESCC(C)(C)OCC=CC=CCOC(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyUQVIJINYSGMKRO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds5

About 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene (PubChem CID 546162) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene.

Molecular Properties

Compound Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene
PubChem CID546162
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene
SMILESCC(C)(C)OCC=CC=CCOC(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyUQVIJINYSGMKRO-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene?
The IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene (CID 546162) is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene.
What is the SMILES notation for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene?
The canonical SMILES for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene is CC(C)(C)OCC=CC=CCOC(C)(C)C.
What is the InChIKey of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene?
The InChIKey is UQVIJINYSGMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h7-10H,11-12H2,1-6H3.
What are the key properties of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene?
1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene has a molecular weight of 226.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diene is sourced from PubChem (CID 546162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).