4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene

C27H32O2 — CID 139688836

IUPAC4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene
SMILESC=C=COc1cc(C(C)(C)C)ccc1Cc1ccc(C(C)(C)C)cc1OC=C=C
InChIInChI=1S/C27H32O2/c1-9-15-28-24-18-22(26(3,4)5)13-11-20(24)17-21-12-14-23(27(6,7)8)19-25(21)29-16-10-2/h11-16,18-19H,1-2,17H2,3-8H3
InChIKeyBOFYBPUBUNZWPO-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.23
Rot. Bonds6

About 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene

4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene (PubChem CID 139688836) has the molecular formula C27H32O2 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene
PubChem CID139688836
Molecular FormulaC27H32O2
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Name4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene
SMILESC=C=COc1cc(C(C)(C)C)ccc1Cc1ccc(C(C)(C)C)cc1OC=C=C
InChIInChI=1S/C27H32O2/c1-9-15-28-24-18-22(26(3,4)5)13-11-20(24)17-21-12-14-23(27(6,7)8)19-25(21)29-16-10-2/h11-16,18-19H,1-2,17H2,3-8H3
InChIKeyBOFYBPUBUNZWPO-UHFFFAOYSA-N
XLogP7.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene 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 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene?
The IUPAC name of 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene (CID 139688836) is 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene.
What is the SMILES notation for 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene?
The canonical SMILES for 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene is C=C=COc1cc(C(C)(C)C)ccc1Cc1ccc(C(C)(C)C)cc1OC=C=C.
What is the InChIKey of 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene?
The InChIKey is BOFYBPUBUNZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2/c1-9-15-28-24-18-22(26(3,4)5)13-11-20(24)17-21-12-14-23(27(6,7)8)19-25(21)29-16-10-2/h11-16,18-19H,1-2,17H2,3-8H3.
What are the key properties of 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene?
4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene has a molecular weight of 388.55 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene is sourced from PubChem (CID 139688836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).