1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene

C23H34 — CID 102260894

IUPAC1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
SMILESCC1=C(C)C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)=C1C
InChIInChI=1S/C23H34/c1-14-15(2)17(4)21(16(14)3)18-11-19(22(5,6)7)13-20(12-18)23(8,9)10/h11-13,21H,1-10H3
InChIKeyZMWAEVMAHWPEDN-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.05
Rot. Bonds1

About 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene

1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene (PubChem CID 102260894) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
PubChem CID102260894
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
SMILESCC1=C(C)C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)=C1C
InChIInChI=1S/C23H34/c1-14-15(2)17(4)21(16(14)3)18-11-19(22(5,6)7)13-20(12-18)23(8,9)10/h11-13,21H,1-10H3
InChIKeyZMWAEVMAHWPEDN-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-3-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
CID 141043788
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2,4-ditert-butyl-6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenol;titanium(2+);dichloride
CID 158755314
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane
CID 16685428
6,12-bis(3,5-ditert-butylphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
CID 25197870
1-tert-butyl-3-cyclohexyl-5-methylbenzene
CID 155650846
2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine
CID 82471982
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432
bis(3,5-ditert-butylphenyl)phosphane
CID 4191558
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
1-(3,5-ditert-butylphenyl)-N-methylmethanamine
CID 59420108

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene?
The IUPAC name of 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene (CID 102260894) is 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene?
The canonical SMILES for 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene is CC1=C(C)C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)=C1C.
What is the InChIKey of 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene?
The InChIKey is ZMWAEVMAHWPEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-14-15(2)17(4)21(16(14)3)18-11-19(22(5,6)7)13-20(12-18)23(8,9)10/h11-13,21H,1-10H3.
What are the key properties of 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene?
1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene has a molecular weight of 310.53 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene is sourced from PubChem (CID 102260894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).