3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene

C26H44 — CID 91359683

IUPAC3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene
SMILESCC(C)(C)C(=CC=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H44/c1-23(2,3)21(24(4,5)6)19-17-15-13-14-16-18-20-22(25(7,8)9)26(10,11)12/h13-20H,1-12H3
InChIKeyUNXYRDOHAUDJHL-UHFFFAOYSA-N
MW356.64 g/mol
LogP8.69
Rot. Bonds4

About 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene

3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene (PubChem CID 91359683) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene.

Molecular Properties

Compound Name3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene
PubChem CID91359683
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Name3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene
SMILESCC(C)(C)C(=CC=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H44/c1-23(2,3)21(24(4,5)6)19-17-15-13-14-16-18-20-22(25(7,8)9)26(10,11)12/h13-20H,1-12H3
InChIKeyUNXYRDOHAUDJHL-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaene
CID 6443791
15-cis-4,4'-Diapophytoene
CID 14019219
4,4'-Diapo-zeta-carotene
CID 11315692
4,4'-Diapophytofluene
CID 16061258
(E,E,E)-alpha-Springene
CID 5365883
Pentene, 2,4,4-trimethyl-
CID 102601787
C30 Botryococcene
CID 59053142
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
All-trans-4,4'-diapophytoene
CID 5377880
(6E,11E,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
CID 14274985
(4E,6E,8E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,18,22-nonaene
CID 101609271

Frequently Asked Questions

What is the IUPAC name of 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene?
The IUPAC name of 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene (CID 91359683) is 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene.
What is the SMILES notation for 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene?
The canonical SMILES for 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene is CC(C)(C)C(=CC=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene?
The InChIKey is UNXYRDOHAUDJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44/c1-23(2,3)21(24(4,5)6)19-17-15-13-14-16-18-20-22(25(7,8)9)26(10,11)12/h13-20H,1-12H3.
What are the key properties of 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene?
3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene has a molecular weight of 356.64 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-ditert-butyl-2,2,13,13-tetramethyltetradeca-3,5,7,9,11-pentaene is sourced from PubChem (CID 91359683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).