[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene

C26H32 — CID 140629994

IUPAC[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
SMILESCCCCC(C1=C(C(C)(C)C)C=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32/c1-5-6-20-26(21-14-9-7-10-15-21,22-16-11-8-12-17-22)24-19-13-18-23(24)25(2,3)4/h7-18H,5-6,19-20H2,1-4H3
InChIKeySQPLYCCDADCYSW-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.47
Rot. Bonds6

About [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene

[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene (PubChem CID 140629994) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene.

Molecular Properties

Compound Name[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
PubChem CID140629994
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
SMILESCCCCC(C1=C(C(C)(C)C)C=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32/c1-5-6-20-26(21-14-9-7-10-15-21,22-16-11-8-12-17-22)24-19-13-18-23(24)25(2,3)4/h7-18H,5-6,19-20H2,1-4H3
InChIKeySQPLYCCDADCYSW-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[1-(2-ethylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140630327
[1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140629842
tert-butylbenzene;hexane
CID 175254424
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
(2S)-2-phenylhexan-2-amine
CID 10889241
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
(3,3-dimethyl-2-phenylheptan-2-yl)benzene
CID 139749587
1,1-diphenylpentan-1-amine
CID 10263654
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene?
The IUPAC name of [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene (CID 140629994) is [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene.
What is the SMILES notation for [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene?
The canonical SMILES for [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene is CCCCC(C1=C(C(C)(C)C)C=CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene?
The InChIKey is SQPLYCCDADCYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-5-6-20-26(21-14-9-7-10-15-21,22-16-11-8-12-17-22)24-19-13-18-23(24)25(2,3)4/h7-18H,5-6,19-20H2,1-4H3.
What are the key properties of [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene?
[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene has a molecular weight of 344.54 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene is sourced from PubChem (CID 140629994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).