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

C15H18 — CID 102207082

IUPAC(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC(C)(C)C1=C(c2ccccc2)C=CC1
InChIInChI=1S/C15H18/c1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-10H,11H2,1-3H3
InChIKeyFSQFVCSSHODXOD-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.45
Rot. Bonds1

About (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene

(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 102207082) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID102207082
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC(C)(C)C1=C(c2ccccc2)C=CC1
InChIInChI=1S/C15H18/c1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-10H,11H2,1-3H3
InChIKeyFSQFVCSSHODXOD-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-tert-butyl-5-methyl-2-phenylcyclohexa-1,3-diene
CID 142867812
chloro-(2-phenylcyclopenta-1,3-dien-1-yl)phosphane
CID 137227869
1-tert-butyl-3-(2-tert-butylcyclopenta-1,4-dien-1-yl)-2-methoxybenzene
CID 139988787
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 88592546
5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine
CID 164983625
6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140629994
[2,2-dimethyl-1-phenyl-1-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)propyl]benzene
CID 140630416
1-tert-butyl-2,4-difluorocyclohepta-1,3,5-triene
CID 134172117
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
CID 123467419

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene (CID 102207082) is (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene is CC(C)(C)C1=C(c2ccccc2)C=CC1.
What is the InChIKey of (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is FSQFVCSSHODXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12/h4-10H,11H2,1-3H3.
What are the key properties of (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene?
(2-tert-butylcyclopenta-1,4-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 (2-tert-butylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 102207082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).