3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene

C24H42 — CID 91600432

IUPAC3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene
SMILESCC(C)(C)C(=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H42/c1-21(2,3)19(22(4,5)6)17-15-13-14-16-18-20(23(7,8)9)24(10,11)12/h13-18H,1-12H3
InChIKeyQIDFJTPXOBHYTH-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.14
Rot. Bonds3

About 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene

3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene (PubChem CID 91600432) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene.

Molecular Properties

Compound Name3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene
PubChem CID91600432
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene
SMILESCC(C)(C)C(=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H42/c1-21(2,3)19(22(4,5)6)17-15-13-14-16-18-20(23(7,8)9)24(10,11)12/h13-18H,1-12H3
InChIKeyQIDFJTPXOBHYTH-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.14
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 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene?
The IUPAC name of 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene (CID 91600432) is 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene.
What is the SMILES notation for 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene?
The canonical SMILES for 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene is CC(C)(C)C(=CC=CC=CC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene?
The InChIKey is QIDFJTPXOBHYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-21(2,3)19(22(4,5)6)17-15-13-14-16-18-20(23(7,8)9)24(10,11)12/h13-18H,1-12H3.
What are the key properties of 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene?
3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene has a molecular weight of 330.60 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7,9-tetraene is sourced from PubChem (CID 91600432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).