(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene

C15H18 — CID 59251609

IUPAC(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC(C)(C)C1=CC=C(c2ccccc2)C1
InChIInChI=1S/C15H18/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyCCFQKKIUQFFMOT-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.45
Rot. Bonds1

About (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene

(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 59251609) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID59251609
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC(C)(C)C1=CC=C(c2ccccc2)C1
InChIInChI=1S/C15H18/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyCCFQKKIUQFFMOT-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
CID 21048518
(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene
CID 10798618
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
1-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-3-phenylbenzene
CID 68742506
1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 153499449
N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 70847371
(4-tert-butylcyclohexa-1,3-dien-1-yl)benzene;4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
CID 145203858
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
1,4-ditert-butylbenzene;1,4-ditert-butylcyclopenta-1,3-diene;2,5-ditert-butyl-1,4-dihydropentalene
CID 159432157
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
bis((4-tert-butylcyclopenta-1,4-dien-1-yl)benzene);hafnium(4+);dichloride
CID 174391384
1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
CID 163869651

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene (CID 59251609) is (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene is CC(C)(C)C1=CC=C(c2ccccc2)C1.
What is the InChIKey of (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is CCFQKKIUQFFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene?
(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 59251609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).